13-methyltetradecylcyclopentane

C20H40 — CID 123698808

IUPAC13-methyltetradecylcyclopentane
SMILESCC(C)CCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C20H40/c1-19(2)15-11-9-7-5-3-4-6-8-10-12-16-20-17-13-14-18-20/h19-20H,3-18H2,1-2H3
InChIKeyUUZOBRKNFDAHKW-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.51
Rot. Bonds13

About 13-methyltetradecylcyclopentane

13-methyltetradecylcyclopentane (PubChem CID 123698808) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 13-methyltetradecylcyclopentane.

Molecular Properties

Compound Name13-methyltetradecylcyclopentane
PubChem CID123698808
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name13-methyltetradecylcyclopentane
SMILESCC(C)CCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C20H40/c1-19(2)15-11-9-7-5-3-4-6-8-10-12-16-20-17-13-14-18-20/h19-20H,3-18H2,1-2H3
InChIKeyUUZOBRKNFDAHKW-UHFFFAOYSA-N
XLogP7.51
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 ≤ 57.51
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

4-methylpentylcyclopentane
CID 523530
4-(6-methylheptyl)azonane
CID 18957808
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925
3-(6-methylheptyl)cyclohexan-1-ol
CID 177308556
(3S)-3-(5-methylhexyl)cycloheptan-1-one
CID 59072771
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436
5-cyclobutylpentylcyclobutane
CID 173228999
4-cyclopentylbutylcyclohexane
CID 144547696
(7-ethylsulfanyl-6-methylheptyl)cyclopentane
CID 170850385
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
tetradecylcycloundecane
CID 169026040

Frequently Asked Questions

What is the IUPAC name of 13-methyltetradecylcyclopentane?
The IUPAC name of 13-methyltetradecylcyclopentane (CID 123698808) is 13-methyltetradecylcyclopentane.
What is the SMILES notation for 13-methyltetradecylcyclopentane?
The canonical SMILES for 13-methyltetradecylcyclopentane is CC(C)CCCCCCCCCCCCC1CCCC1.
What is the InChIKey of 13-methyltetradecylcyclopentane?
The InChIKey is UUZOBRKNFDAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-19(2)15-11-9-7-5-3-4-6-8-10-12-16-20-17-13-14-18-20/h19-20H,3-18H2,1-2H3.
What are the key properties of 13-methyltetradecylcyclopentane?
13-methyltetradecylcyclopentane has a molecular weight of 280.54 g/mol, XLogP of 7.51, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyltetradecylcyclopentane is sourced from PubChem (CID 123698808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).