(Z)-octadec-6-ene

C18H36 — CID 5352239

IUPAC(Z)-octadec-6-ene
SMILESCCCCC/C=C\CCCCCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-18H2,1-2H3/b13-11-
InChIKeyHPDAWHPYUNZJMN-QBFSEMIESA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds14

About (Z)-octadec-6-ene

(Z)-octadec-6-ene (PubChem CID 5352239) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-octadec-6-ene.

Molecular Properties

Compound Name(Z)-octadec-6-ene
PubChem CID5352239
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-octadec-6-ene
SMILESCCCCC/C=C\CCCCCCCCCCC
InChIInChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-18H2,1-2H3/b13-11-
InChIKeyHPDAWHPYUNZJMN-QBFSEMIESA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
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
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-6-ene?
The IUPAC name of (Z)-octadec-6-ene (CID 5352239) is (Z)-octadec-6-ene.
What is the SMILES notation for (Z)-octadec-6-ene?
The canonical SMILES for (Z)-octadec-6-ene is CCCCC/C=C\CCCCCCCCCCC.
What is the InChIKey of (Z)-octadec-6-ene?
The InChIKey is HPDAWHPYUNZJMN-QBFSEMIESA-N. The full InChI is InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-18H2,1-2H3/b13-11-.
What are the key properties of (Z)-octadec-6-ene?
(Z)-octadec-6-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-6-ene is sourced from PubChem (CID 5352239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).