[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate

C18H34O2 — CID 134352495

IUPAC[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(CC)(CC)CC)CCCC1
InChIInChI=1S/C18H34O2/c1-7-16(5,6)15(19)20-18(13-11-12-14-18)17(8-2,9-3)10-4/h7-14H2,1-6H3
InChIKeyRXQAOHVXGNDHPR-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.49
Rot. Bonds7

About [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate

[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate (PubChem CID 134352495) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
PubChem CID134352495
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(C(CC)(CC)CC)CCCC1
InChIInChI=1S/C18H34O2/c1-7-16(5,6)15(19)20-18(13-11-12-14-18)17(8-2,9-3)10-4/h7-14H2,1-6H3
InChIKeyRXQAOHVXGNDHPR-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(3-ethylpentan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate?
The IUPAC name of [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate (CID 134352495) is [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate?
The canonical SMILES for [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(CC)(CC)CC)CCCC1.
What is the InChIKey of [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate?
The InChIKey is RXQAOHVXGNDHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-7-16(5,6)15(19)20-18(13-11-12-14-18)17(8-2,9-3)10-4/h7-14H2,1-6H3.
What are the key properties of [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate?
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate has a molecular weight of 282.47 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 134352495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).