2,4,6,8,10,12-hexamethylpentadec-1-ene

C21H42 — CID 91752714

IUPAC2,4,6,8,10,12-hexamethylpentadec-1-ene
SMILESC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC
InChIInChI=1S/C21H42/c1-9-10-17(4)12-19(6)14-21(8)15-20(7)13-18(5)11-16(2)3/h17-21H,2,9-15H2,1,3-8H3
InChIKeyBAGMQIWLSCXTAI-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.49
Rot. Bonds12

About 2,4,6,8,10,12-hexamethylpentadec-1-ene

2,4,6,8,10,12-hexamethylpentadec-1-ene (PubChem CID 91752714) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 2,4,6,8,10,12-hexamethylpentadec-1-ene.

Molecular Properties

Compound Name2,4,6,8,10,12-hexamethylpentadec-1-ene
PubChem CID91752714
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name2,4,6,8,10,12-hexamethylpentadec-1-ene
SMILESC=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC
InChIInChI=1S/C21H42/c1-9-10-17(4)12-19(6)14-21(8)15-20(7)13-18(5)11-16(2)3/h17-21H,2,9-15H2,1,3-8H3
InChIKeyBAGMQIWLSCXTAI-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.49
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

alpha-Camphorene
CID 101750
2,4-Dimethyl-1-heptene
CID 123385
Neophytadiene
CID 10446
(14E,18E)-lycopadiene
CID 13889926
m-Camphorene
CID 5315649
1-Decene, dimer
CID 22833390
1-Heptene, 2,6-dimethyl-
CID 76492
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,12-hexamethylpentadec-1-ene?
The IUPAC name of 2,4,6,8,10,12-hexamethylpentadec-1-ene (CID 91752714) is 2,4,6,8,10,12-hexamethylpentadec-1-ene.
What is the SMILES notation for 2,4,6,8,10,12-hexamethylpentadec-1-ene?
The canonical SMILES for 2,4,6,8,10,12-hexamethylpentadec-1-ene is C=C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CCC.
What is the InChIKey of 2,4,6,8,10,12-hexamethylpentadec-1-ene?
The InChIKey is BAGMQIWLSCXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-9-10-17(4)12-19(6)14-21(8)15-20(7)13-18(5)11-16(2)3/h17-21H,2,9-15H2,1,3-8H3.
What are the key properties of 2,4,6,8,10,12-hexamethylpentadec-1-ene?
2,4,6,8,10,12-hexamethylpentadec-1-ene has a molecular weight of 294.57 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,12-hexamethylpentadec-1-ene is sourced from PubChem (CID 91752714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).