3-methyltetradec-4-ene

C15H30 — CID 123180851

IUPAC3-methyltetradec-4-ene
SMILESCCCCCCCCCC=CC(C)CC
InChIInChI=1S/C15H30/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyOLCSIPLBISKTML-UHFFFAOYSA-N
MW210.41 g/mol
LogP5.73
Rot. Bonds10

About 3-methyltetradec-4-ene

3-methyltetradec-4-ene (PubChem CID 123180851) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is 3-methyltetradec-4-ene.

Molecular Properties

Compound Name3-methyltetradec-4-ene
PubChem CID123180851
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name3-methyltetradec-4-ene
SMILESCCCCCCCCCC=CC(C)CC
InChIInChI=1S/C15H30/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h13-15H,4-12H2,1-3H3
InChIKeyOLCSIPLBISKTML-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.73
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)-3-methyldec-4-ene
CID 5364642
(E)-3-methylnon-4-ene
CID 13082837
5-methylpentadec-6-ene
CID 123440014
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
5-methyldodec-6-ene
CID 86165480
7-methylhexadec-5-ene
CID 150059561
(E)-3-methylundec-4-en-1-ol
CID 121006781
undec-3-en-2-ol
CID 174515693
2-chlorodec-3-ene
CID 71337420
4,5-dimethylicos-6-ene
CID 72645531
(3Z,13Z)-2-methyloctadeca-3,13-dien-1-ol
CID 5364412

Frequently Asked Questions

What is the IUPAC name of 3-methyltetradec-4-ene?
The IUPAC name of 3-methyltetradec-4-ene (CID 123180851) is 3-methyltetradec-4-ene.
What is the SMILES notation for 3-methyltetradec-4-ene?
The canonical SMILES for 3-methyltetradec-4-ene is CCCCCCCCCC=CC(C)CC.
What is the InChIKey of 3-methyltetradec-4-ene?
The InChIKey is OLCSIPLBISKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methyltetradec-4-ene?
3-methyltetradec-4-ene has a molecular weight of 210.41 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltetradec-4-ene is sourced from PubChem (CID 123180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).