(1-ethylcyclopentyl) methyl carbonate

C9H16O3 — CID 59539839

IUPAC(1-ethylcyclopentyl) methyl carbonate
SMILESCCC1(OC(=O)OC)CCCC1
InChIInChI=1S/C9H16O3/c1-3-9(6-4-5-7-9)12-8(10)11-2/h3-7H2,1-2H3
InChIKeyXPKJVMKXRCSVQH-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.49
Rot. Bonds2

About (1-ethylcyclopentyl) methyl carbonate

(1-ethylcyclopentyl) methyl carbonate (PubChem CID 59539839) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1-ethylcyclopentyl) methyl carbonate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) methyl carbonate
PubChem CID59539839
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1-ethylcyclopentyl) methyl carbonate
SMILESCCC1(OC(=O)OC)CCCC1
InChIInChI=1S/C9H16O3/c1-3-9(6-4-5-7-9)12-8(10)11-2/h3-7H2,1-2H3
InChIKeyXPKJVMKXRCSVQH-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethylcyclopentyl) methyl carbonate 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-ethylcyclopentyl) methyl carbonate?
The IUPAC name of (1-ethylcyclopentyl) methyl carbonate (CID 59539839) is (1-ethylcyclopentyl) methyl carbonate.
What is the SMILES notation for (1-ethylcyclopentyl) methyl carbonate?
The canonical SMILES for (1-ethylcyclopentyl) methyl carbonate is CCC1(OC(=O)OC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) methyl carbonate?
The InChIKey is XPKJVMKXRCSVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(6-4-5-7-9)12-8(10)11-2/h3-7H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl) methyl carbonate?
(1-ethylcyclopentyl) methyl carbonate has a molecular weight of 172.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) methyl carbonate is sourced from PubChem (CID 59539839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).