HP6

HEPTANE

Created:	2005-08-16
Last modified:	2011-06-04

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69 entries where HP6 is found as a standalone ligand5 entries where HP6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of HP6

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Chemical Component Summary
Name	HEPTANE
Systematic Name (OpenEye OEToolkits)	heptane
Formula	C₇ H₁₆
Molecular Weight	100.202
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	CCCCCCC
SMILES	CACTVS	3.341	CCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCC
InChI	InChI	1.03	InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChIKey	InChI	1.03	IMNFDUFMRHMDMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8900
ChEMBL	CHEMBL134658
ChEBI	CHEBI:43098
CCDC/CSD	JOVLEL, CEXVUZ, FAKYOF, IYEWEQ, BOSVIR, DOHTOM, IYEWAM, CANKEI, JOKXEO, FORSUD, AJAFOJ, FENCAD, IFEPAK, JAQZAD, BOSVAJ02, BOSVAJ, EREMIY, ADOFEH, DARRUK, FORSAJ, GIYBAU, FEYNED, KODYAF, JANFAF, JANFAF10, FORSOX, FORSOX01, BIFCAV, BOSVEN, CILTOH, FEYNON, JOVZUP, CESFAI, HEPTAN03, EHUMAW, INOWEO, HOLRIL, FEYNIH, CICWIW, IVESIN, CIXFIB, HEPTAN01, CICWOC, LANTAW, AKABUK, FIGGIN, JOYFAG, HUCNAU, FEVPOM, IONCDH

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.