1-methyl-1-(2-propan-2-ylpentyl)cyclopentane

C14H28 — CID 147209819

IUPAC1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
SMILESCCCC(CC1(C)CCCC1)C(C)C
InChIInChI=1S/C14H28/c1-5-8-13(12(2)3)11-14(4)9-6-7-10-14/h12-13H,5-11H2,1-4H3
InChIKeyCEYYITOJGIMBRF-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds5

About 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane

1-methyl-1-(2-propan-2-ylpentyl)cyclopentane (PubChem CID 147209819) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane.

Molecular Properties

Compound Name1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
PubChem CID147209819
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-1-(2-propan-2-ylpentyl)cyclopentane
SMILESCCCC(CC1(C)CCCC1)C(C)C
InChIInChI=1S/C14H28/c1-5-8-13(12(2)3)11-14(4)9-6-7-10-14/h12-13H,5-11H2,1-4H3
InChIKeyCEYYITOJGIMBRF-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
(3R)-3-ethyl-2-methylhexane
CID 59954424
2-(1-methylcyclohexyl)ethane-1,1-diol
CID 59872782
2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107893998
2-propan-2-ylpentylcyclobutane
CID 161147859
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
2-methyl-4-propan-2-ylheptane
CID 21201044
2,2-dimethyl-1-(2-methylpentyl)cyclohexan-1-amine
CID 79835898
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 79836995

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane?
The IUPAC name of 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane (CID 147209819) is 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane.
What is the SMILES notation for 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane?
The canonical SMILES for 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane is CCCC(CC1(C)CCCC1)C(C)C.
What is the InChIKey of 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane?
The InChIKey is CEYYITOJGIMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-8-13(12(2)3)11-14(4)9-6-7-10-14/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane?
1-methyl-1-(2-propan-2-ylpentyl)cyclopentane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-propan-2-ylpentyl)cyclopentane is sourced from PubChem (CID 147209819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).