(1-tert-butylcyclopentyl) acetate

C11H20O2 — CID 58430277

IUPAC(1-tert-butylcyclopentyl) acetate
SMILESCC(=O)OC1(C(C)(C)C)CCCC1
InChIInChI=1S/C11H20O2/c1-9(12)13-11(10(2,3)4)7-5-6-8-11/h5-8H2,1-4H3
InChIKeyCELRXXQHSCSHOS-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds1

About (1-tert-butylcyclopentyl) acetate

(1-tert-butylcyclopentyl) acetate (PubChem CID 58430277) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl) acetate.

Molecular Properties

Compound Name(1-tert-butylcyclopentyl) acetate
PubChem CID58430277
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1-tert-butylcyclopentyl) acetate
SMILESCC(=O)OC1(C(C)(C)C)CCCC1
InChIInChI=1S/C11H20O2/c1-9(12)13-11(10(2,3)4)7-5-6-8-11/h5-8H2,1-4H3
InChIKeyCELRXXQHSCSHOS-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-tert-butylcyclopentyl) acetate 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-tert-butylcyclopentyl) acetate?
The IUPAC name of (1-tert-butylcyclopentyl) acetate (CID 58430277) is (1-tert-butylcyclopentyl) acetate.
What is the SMILES notation for (1-tert-butylcyclopentyl) acetate?
The canonical SMILES for (1-tert-butylcyclopentyl) acetate is CC(=O)OC1(C(C)(C)C)CCCC1.
What is the InChIKey of (1-tert-butylcyclopentyl) acetate?
The InChIKey is CELRXXQHSCSHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(12)13-11(10(2,3)4)7-5-6-8-11/h5-8H2,1-4H3.
What are the key properties of (1-tert-butylcyclopentyl) acetate?
(1-tert-butylcyclopentyl) acetate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclopentyl) acetate is sourced from PubChem (CID 58430277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).