(1-methylcyclopentyl) 2-methylpropyl carbonate

C11H20O3 — CID 54223354

IUPAC(1-methylcyclopentyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-13-10(12)14-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3
InChIKeyCLFZMYLVPLWHKM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds3

About (1-methylcyclopentyl) 2-methylpropyl carbonate

(1-methylcyclopentyl) 2-methylpropyl carbonate (PubChem CID 54223354) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-methylpropyl carbonate
PubChem CID54223354
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1-methylcyclopentyl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H20O3/c1-9(2)8-13-10(12)14-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3
InChIKeyCLFZMYLVPLWHKM-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylcyclopentyl) 2-methylpropyl 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-methylcyclopentyl) 2-methylpropyl carbonate?
The IUPAC name of (1-methylcyclopentyl) 2-methylpropyl carbonate (CID 54223354) is (1-methylcyclopentyl) 2-methylpropyl carbonate.
What is the SMILES notation for (1-methylcyclopentyl) 2-methylpropyl carbonate?
The canonical SMILES for (1-methylcyclopentyl) 2-methylpropyl carbonate is CC(C)COC(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-methylpropyl carbonate?
The InChIKey is CLFZMYLVPLWHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)8-13-10(12)14-11(3)6-4-5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of (1-methylcyclopentyl) 2-methylpropyl carbonate?
(1-methylcyclopentyl) 2-methylpropyl carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-methylpropyl carbonate is sourced from PubChem (CID 54223354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).