(Z)-3-methylheptadec-3-ene

C18H36 — CID 159647191

IUPAC(Z)-3-methylheptadec-3-ene
SMILESCCCCCCCCCCCCC/C=C(/C)CC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h17H,4-16H2,1-3H3/b18-17-
InChIKeyHTYAWIFZDBAGCQ-ZCXUNETKSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds13

About (Z)-3-methylheptadec-3-ene

(Z)-3-methylheptadec-3-ene (PubChem CID 159647191) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-3-methylheptadec-3-ene.

Molecular Properties

Compound Name(Z)-3-methylheptadec-3-ene
PubChem CID159647191
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-3-methylheptadec-3-ene
SMILESCCCCCCCCCCCCC/C=C(/C)CC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h17H,4-16H2,1-3H3/b18-17-
InChIKeyHTYAWIFZDBAGCQ-ZCXUNETKSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
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

3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
(E)-3-methylnon-3-ene
CID 5364647
2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
4-methylhexadec-4-ene
CID 174447790
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
2,6-dimethyltetradeca-2,6-diene
CID 57189781

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylheptadec-3-ene?
The IUPAC name of (Z)-3-methylheptadec-3-ene (CID 159647191) is (Z)-3-methylheptadec-3-ene.
What is the SMILES notation for (Z)-3-methylheptadec-3-ene?
The canonical SMILES for (Z)-3-methylheptadec-3-ene is CCCCCCCCCCCCC/C=C(/C)CC.
What is the InChIKey of (Z)-3-methylheptadec-3-ene?
The InChIKey is HTYAWIFZDBAGCQ-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h17H,4-16H2,1-3H3/b18-17-.
What are the key properties of (Z)-3-methylheptadec-3-ene?
(Z)-3-methylheptadec-3-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylheptadec-3-ene is sourced from PubChem (CID 159647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).