1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane

C20H40 — CID 91311320

IUPAC1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane
SMILESCCCCCCCCCCCC(C)CC(C)C1(C)CC1
InChIInChI=1S/C20H40/c1-5-6-7-8-9-10-11-12-13-14-18(2)17-19(3)20(4)15-16-20/h18-19H,5-17H2,1-4H3
InChIKeyGQNOUSOQEZZSEG-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.37
Rot. Bonds13

About 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane

1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane (PubChem CID 91311320) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane
PubChem CID91311320
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane
SMILESCCCCCCCCCCCC(C)CC(C)C1(C)CC1
InChIInChI=1S/C20H40/c1-5-6-7-8-9-10-11-12-13-14-18(2)17-19(3)20(4)15-16-20/h18-19H,5-17H2,1-4H3
InChIKeyGQNOUSOQEZZSEG-UHFFFAOYSA-N
XLogP7.37
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 ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-(4-methylheptan-2-yl)cyclopropane
CID 123841891
6,8-dimethylhexadecane
CID 91185725
3,5-dimethylpentacosane
CID 86177199
(4R,6S)-4,6-dimethyldodecane
CID 162976966
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
11-methylhentriacontane
CID 520767
(9R)-9-methylhenicosane
CID 170848396
6-methyltetradecane
CID 529900

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane?
The IUPAC name of 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane (CID 91311320) is 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane.
What is the SMILES notation for 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane?
The canonical SMILES for 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane is CCCCCCCCCCCC(C)CC(C)C1(C)CC1.
What is the InChIKey of 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane?
The InChIKey is GQNOUSOQEZZSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-5-6-7-8-9-10-11-12-13-14-18(2)17-19(3)20(4)15-16-20/h18-19H,5-17H2,1-4H3.
What are the key properties of 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane?
1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane has a molecular weight of 280.54 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane is sourced from PubChem (CID 91311320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).