2,3,6-trimethylundec-5-ene

C14H28 — CID 123502967

IUPAC2,3,6-trimethylundec-5-ene
SMILESCCCCCC(C)=CCC(C)C(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-13(4)10-11-14(5)12(2)3/h10,12,14H,6-9,11H2,1-5H3
InChIKeyNPTHFOJTULHZAY-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds7

About 2,3,6-trimethylundec-5-ene

2,3,6-trimethylundec-5-ene (PubChem CID 123502967) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 2,3,6-trimethylundec-5-ene.

Molecular Properties

Compound Name2,3,6-trimethylundec-5-ene
PubChem CID123502967
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name2,3,6-trimethylundec-5-ene
SMILESCCCCCC(C)=CCC(C)C(C)C
InChIInChI=1S/C14H28/c1-6-7-8-9-13(4)10-11-14(5)12(2)3/h10,12,14H,6-9,11H2,1-5H3
InChIKeyNPTHFOJTULHZAY-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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)-3,6,7-trimethyloct-3-ene
CID 167475963
4-methylheptadec-3-ene
CID 59169426
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
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
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
7-methyldodeca-3,6-diene
CID 140972090
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methyltetradec-3-en-2-ol
CID 71428210

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylundec-5-ene?
The IUPAC name of 2,3,6-trimethylundec-5-ene (CID 123502967) is 2,3,6-trimethylundec-5-ene.
What is the SMILES notation for 2,3,6-trimethylundec-5-ene?
The canonical SMILES for 2,3,6-trimethylundec-5-ene is CCCCCC(C)=CCC(C)C(C)C.
What is the InChIKey of 2,3,6-trimethylundec-5-ene?
The InChIKey is NPTHFOJTULHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-7-8-9-13(4)10-11-14(5)12(2)3/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of 2,3,6-trimethylundec-5-ene?
2,3,6-trimethylundec-5-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylundec-5-ene is sourced from PubChem (CID 123502967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).