(E)-3-methyltridec-2-ene

C14H28 — CID 22000795

IUPAC(E)-3-methyltridec-2-ene
SMILESC/C=C(\C)CCCCCCCCCC
InChIInChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+
InChIKeyPAIJLRRCRATYTI-LHHJGKSTSA-N
MW196.38 g/mol
LogP5.48
Rot. Bonds9

About (E)-3-methyltridec-2-ene

(E)-3-methyltridec-2-ene (PubChem CID 22000795) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is (E)-3-methyltridec-2-ene.

Molecular Properties

Compound Name(E)-3-methyltridec-2-ene
PubChem CID22000795
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name(E)-3-methyltridec-2-ene
SMILESC/C=C(\C)CCCCCCCCCC
InChIInChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+
InChIKeyPAIJLRRCRATYTI-LHHJGKSTSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.48
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-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
3,7,8-trimethylhenicos-2-ene
CID 141187022
3,7,8-trimethyloctadec-2-ene
CID 141187025
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
4-methylheptadec-3-ene
CID 59169426
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
2-methylhept-1-en-1-ol
CID 141483452
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-9-methylnonadec-9-ene
CID 14783585

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyltridec-2-ene?
The IUPAC name of (E)-3-methyltridec-2-ene (CID 22000795) is (E)-3-methyltridec-2-ene.
What is the SMILES notation for (E)-3-methyltridec-2-ene?
The canonical SMILES for (E)-3-methyltridec-2-ene is C/C=C(\C)CCCCCCCCCC.
What is the InChIKey of (E)-3-methyltridec-2-ene?
The InChIKey is PAIJLRRCRATYTI-LHHJGKSTSA-N. The full InChI is InChI=1S/C14H28/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,4,6-13H2,1-3H3/b14-5+.
What are the key properties of (E)-3-methyltridec-2-ene?
(E)-3-methyltridec-2-ene has a molecular weight of 196.38 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyltridec-2-ene is sourced from PubChem (CID 22000795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).