(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate

C12H22O3 — CID 16770157

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CO)C1
InChIInChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyFMATXKUIGQODAH-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.98
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate (PubChem CID 16770157) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate
PubChem CID16770157
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate
SMILESCC1CCC(C(C)C)C(OC(=O)CO)C1
InChIInChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyFMATXKUIGQODAH-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate 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 (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate (CID 16770157) is (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate is CC1CCC(C(C)C)C(OC(=O)CO)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate?
The InChIKey is FMATXKUIGQODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-12(14)7-13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate has a molecular weight of 214.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxyacetate is sourced from PubChem (CID 16770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).