4-methylheptadec-3-ene

C18H36 — CID 59169426

IUPAC4-methylheptadec-3-ene
SMILESCCC=C(C)CCCCCCCCCCCCC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h16H,4-15,17H2,1-3H3
InChIKeyZUVHSDMTENLMCL-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds13

About 4-methylheptadec-3-ene

4-methylheptadec-3-ene (PubChem CID 59169426) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 4-methylheptadec-3-ene.

Molecular Properties

Compound Name4-methylheptadec-3-ene
PubChem CID59169426
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name4-methylheptadec-3-ene
SMILESCCC=C(C)CCCCCCCCCCCCC
InChIInChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h16H,4-15,17H2,1-3H3
InChIKeyZUVHSDMTENLMCL-UHFFFAOYSA-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

4-methyloct-3-ene
CID 85445337
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(E)-3-methylnonadec-2-ene
CID 23160392
(E)-3-methyltridec-2-ene
CID 22000795
3-methyldec-2-ene
CID 550799
(4E)-5-methylundeca-1,4-diene
CID 11126649
7-methyldodeca-3,6-diene
CID 140972090

Frequently Asked Questions

What is the IUPAC name of 4-methylheptadec-3-ene?
The IUPAC name of 4-methylheptadec-3-ene (CID 59169426) is 4-methylheptadec-3-ene.
What is the SMILES notation for 4-methylheptadec-3-ene?
The canonical SMILES for 4-methylheptadec-3-ene is CCC=C(C)CCCCCCCCCCCCC.
What is the InChIKey of 4-methylheptadec-3-ene?
The InChIKey is ZUVHSDMTENLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h16H,4-15,17H2,1-3H3.
What are the key properties of 4-methylheptadec-3-ene?
4-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 4-methylheptadec-3-ene is sourced from PubChem (CID 59169426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).