(Z)-heptacos-11-ene

C27H54 — CID 56936074

IUPAC(Z)-heptacos-11-ene
SMILESCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC
InChIInChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22,24-27H2,1-2H3/b23-21-
InChIKeyYJSMVYDSEIRJRT-LNVKXUELSA-N
MW378.73 g/mol
LogP10.55
Rot. Bonds23

About (Z)-heptacos-11-ene

(Z)-heptacos-11-ene (PubChem CID 56936074) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is (Z)-heptacos-11-ene.

Molecular Properties

Compound Name(Z)-heptacos-11-ene
PubChem CID56936074
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name(Z)-heptacos-11-ene
SMILESCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC
InChIInChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22,24-27H2,1-2H3/b23-21-
InChIKeyYJSMVYDSEIRJRT-LNVKXUELSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of (Z)-heptacos-11-ene?
The IUPAC name of (Z)-heptacos-11-ene (CID 56936074) is (Z)-heptacos-11-ene.
What is the SMILES notation for (Z)-heptacos-11-ene?
The canonical SMILES for (Z)-heptacos-11-ene is CCCCCCCCCC/C=C\CCCCCCCCCCCCCCC.
What is the InChIKey of (Z)-heptacos-11-ene?
The InChIKey is YJSMVYDSEIRJRT-LNVKXUELSA-N. The full InChI is InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22,24-27H2,1-2H3/b23-21-.
What are the key properties of (Z)-heptacos-11-ene?
(Z)-heptacos-11-ene has a molecular weight of 378.73 g/mol, XLogP of 10.55, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-heptacos-11-ene is sourced from PubChem (CID 56936074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).