2,3,4-trimethylheptadec-2-ene

C20H40 — CID 91200907

IUPAC2,3,4-trimethylheptadec-2-ene
SMILESCCCCCCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(4)20(5)18(2)3/h19H,6-17H2,1-5H3
InChIKeyAMDYFEWTLCXVAJ-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.68
Rot. Bonds13

About 2,3,4-trimethylheptadec-2-ene

2,3,4-trimethylheptadec-2-ene (PubChem CID 91200907) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2,3,4-trimethylheptadec-2-ene.

Molecular Properties

Compound Name2,3,4-trimethylheptadec-2-ene
PubChem CID91200907
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name2,3,4-trimethylheptadec-2-ene
SMILESCCCCCCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(4)20(5)18(2)3/h19H,6-17H2,1-5H3
InChIKeyAMDYFEWTLCXVAJ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.68
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

alpha-Camphorene
CID 101750
(-)-Cembrene A
CID 5281384
(14E,18E)-lycopadiene
CID 13889926
m-Camphorene
CID 5315649
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
3,7,11,15-Tetramethyl-2-hexadecene
CID 5366161
Axinyssene
CID 10912665
Somaliensene B
CID 139589961
Cembrene A (711293 K111)
CID 5384141
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
CID 11208039
Phyt-2-ene
CID 6428766

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylheptadec-2-ene?
The IUPAC name of 2,3,4-trimethylheptadec-2-ene (CID 91200907) is 2,3,4-trimethylheptadec-2-ene.
What is the SMILES notation for 2,3,4-trimethylheptadec-2-ene?
The canonical SMILES for 2,3,4-trimethylheptadec-2-ene is CCCCCCCCCCCCCC(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethylheptadec-2-ene?
The InChIKey is AMDYFEWTLCXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(4)20(5)18(2)3/h19H,6-17H2,1-5H3.
What are the key properties of 2,3,4-trimethylheptadec-2-ene?
2,3,4-trimethylheptadec-2-ene has a molecular weight of 280.54 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylheptadec-2-ene is sourced from PubChem (CID 91200907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).