(3,5-dimethylcyclohexyl) benzoate

C15H20O2 — CID 15157091

IUPAC(3,5-dimethylcyclohexyl) benzoate
SMILESCC1CC(C)CC(OC(=O)c2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-11-8-12(2)10-14(9-11)17-15(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyUCLYLILOIZXKND-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.67
Rot. Bonds2

About (3,5-dimethylcyclohexyl) benzoate

(3,5-dimethylcyclohexyl) benzoate (PubChem CID 15157091) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) benzoate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) benzoate
PubChem CID15157091
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3,5-dimethylcyclohexyl) benzoate
SMILESCC1CC(C)CC(OC(=O)c2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-11-8-12(2)10-14(9-11)17-15(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyUCLYLILOIZXKND-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl) benzenecarboperoxoate
CID 173269779
(3,5-dimethylcyclohexyl) 2-sulfanylbenzoate
CID 107018891
(4-methoxycyclohexyl) benzoate
CID 101493670
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
(3-methylcyclobutyl) furan-3-carboxylate
CID 130683637
[(2S,4R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] benzoate
CID 126652663
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
CID 64731834
(4-hydroxy-3,3,5-trimethylcyclohexyl) benzoate
CID 70364620
[3-[methoxy(methyl)carbamoyl]cyclobutyl] benzoate
CID 176887704
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
CID 87858468
CID 87858468
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) benzoate?
The IUPAC name of (3,5-dimethylcyclohexyl) benzoate (CID 15157091) is (3,5-dimethylcyclohexyl) benzoate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) benzoate?
The canonical SMILES for (3,5-dimethylcyclohexyl) benzoate is CC1CC(C)CC(OC(=O)c2ccccc2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) benzoate?
The InChIKey is UCLYLILOIZXKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-8-12(2)10-14(9-11)17-15(16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl) benzoate?
(3,5-dimethylcyclohexyl) benzoate has a molecular weight of 232.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) benzoate is sourced from PubChem (CID 15157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).