3,5,9-trimethyldec-2-ene

C13H26 — CID 123396305

IUPAC3,5,9-trimethyldec-2-ene
SMILESCC=C(C)CC(C)CCCC(C)C
InChIInChI=1S/C13H26/c1-6-12(4)10-13(5)9-7-8-11(2)3/h6,11,13H,7-10H2,1-5H3
InChIKeyDSDPBAAYDHIECX-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds6

About 3,5,9-trimethyldec-2-ene

3,5,9-trimethyldec-2-ene (PubChem CID 123396305) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3,5,9-trimethyldec-2-ene.

Molecular Properties

Compound Name3,5,9-trimethyldec-2-ene
PubChem CID123396305
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3,5,9-trimethyldec-2-ene
SMILESCC=C(C)CC(C)CCCC(C)C
InChIInChI=1S/C13H26/c1-6-12(4)10-13(5)9-7-8-11(2)3/h6,11,13H,7-10H2,1-5H3
InChIKeyDSDPBAAYDHIECX-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3,5-dimethyltrideca-2,8-diene
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CID 58883085
(E)-2,6,10-trimethylundec-1-ene-1-thiol
CID 25254254
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
(E,2S)-2,6-dimethyloct-6-en-1-amine
CID 134214443
2,6,10-trimethylundec-2-ene
CID 14805750
2,5,9,13-tetramethyltetradecane
CID 58292409

Frequently Asked Questions

What is the IUPAC name of 3,5,9-trimethyldec-2-ene?
The IUPAC name of 3,5,9-trimethyldec-2-ene (CID 123396305) is 3,5,9-trimethyldec-2-ene.
What is the SMILES notation for 3,5,9-trimethyldec-2-ene?
The canonical SMILES for 3,5,9-trimethyldec-2-ene is CC=C(C)CC(C)CCCC(C)C.
What is the InChIKey of 3,5,9-trimethyldec-2-ene?
The InChIKey is DSDPBAAYDHIECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12(4)10-13(5)9-7-8-11(2)3/h6,11,13H,7-10H2,1-5H3.
What are the key properties of 3,5,9-trimethyldec-2-ene?
3,5,9-trimethyldec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,9-trimethyldec-2-ene is sourced from PubChem (CID 123396305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).