[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate

C16H30O2 — CID 121368364

IUPAC[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)CC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C16H30O2/c1-6-13(3)12-16(10-8-9-11-16)18-14(17)15(4,5)7-2/h13H,6-12H2,1-5H3
InChIKeyQAGGVVIBPYKLEM-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.71
Rot. Bonds6

About [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate

[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate (PubChem CID 121368364) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate
PubChem CID121368364
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)CC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C16H30O2/c1-6-13(3)12-16(10-8-9-11-16)18-14(17)15(4,5)7-2/h13H,6-12H2,1-5H3
InChIKeyQAGGVVIBPYKLEM-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(1-pentylcyclopentyl) 2,2-dimethylbutanoate
CID 118933720
[1-(3-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 121368377
(1-pentan-3-ylcyclopentyl) 2,2-dimethylbutanoate
CID 121368371
[1-(2-ethoxy-2-oxoethyl)cyclopentyl] 2,2-dimethylbutanoate
CID 155620166
(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
CID 162048791
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
CID 123394961
[1-[2-(2,2-difluoropropoxy)-2-oxoethyl]cyclohexyl] 2,2-dimethylbutanoate
CID 58559966

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate?
The IUPAC name of [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate (CID 121368364) is [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate?
The canonical SMILES for [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate is CCC(C)CC1(OC(=O)C(C)(C)CC)CCCC1.
What is the InChIKey of [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate?
The InChIKey is QAGGVVIBPYKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-13(3)12-16(10-8-9-11-16)18-14(17)15(4,5)7-2/h13H,6-12H2,1-5H3.
What are the key properties of [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate?
[1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate has a molecular weight of 254.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylbutyl)cyclopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 121368364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).