(1,2-dimethylcyclohexyl) benzoate

C15H20O2 — CID 67593313

IUPAC(1,2-dimethylcyclohexyl) benzoate
SMILESCC1CCCCC1(C)OC(=O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h3-5,9-10,12H,6-8,11H2,1-2H3
InChIKeyFEJZPASXZJLJCA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.81
Rot. Bonds2

About (1,2-dimethylcyclohexyl) benzoate

(1,2-dimethylcyclohexyl) benzoate (PubChem CID 67593313) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1,2-dimethylcyclohexyl) benzoate.

Molecular Properties

Compound Name(1,2-dimethylcyclohexyl) benzoate
PubChem CID67593313
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1,2-dimethylcyclohexyl) benzoate
SMILESCC1CCCCC1(C)OC(=O)c1ccccc1
InChIInChI=1S/C15H20O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h3-5,9-10,12H,6-8,11H2,1-2H3
InChIKeyFEJZPASXZJLJCA-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclohexyl) benzoate?
The IUPAC name of (1,2-dimethylcyclohexyl) benzoate (CID 67593313) is (1,2-dimethylcyclohexyl) benzoate.
What is the SMILES notation for (1,2-dimethylcyclohexyl) benzoate?
The canonical SMILES for (1,2-dimethylcyclohexyl) benzoate is CC1CCCCC1(C)OC(=O)c1ccccc1.
What is the InChIKey of (1,2-dimethylcyclohexyl) benzoate?
The InChIKey is FEJZPASXZJLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-8-6-7-11-15(12,2)17-14(16)13-9-4-3-5-10-13/h3-5,9-10,12H,6-8,11H2,1-2H3.
What are the key properties of (1,2-dimethylcyclohexyl) benzoate?
(1,2-dimethylcyclohexyl) benzoate has a molecular weight of 232.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclohexyl) benzoate is sourced from PubChem (CID 67593313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).