(1-cyclohexylcyclohexyl) benzoate

C19H26O2 — CID 54286012

IUPAC(1-cyclohexylcyclohexyl) benzoate
SMILESO=C(OC1(C2CCCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C19H26O2/c20-18(16-10-4-1-5-11-16)21-19(14-8-3-9-15-19)17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2
InChIKeyRUDSFUWFBGEIOD-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.13
Rot. Bonds3

About (1-cyclohexylcyclohexyl) benzoate

(1-cyclohexylcyclohexyl) benzoate (PubChem CID 54286012) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (1-cyclohexylcyclohexyl) benzoate.

Molecular Properties

Compound Name(1-cyclohexylcyclohexyl) benzoate
PubChem CID54286012
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(1-cyclohexylcyclohexyl) benzoate
SMILESO=C(OC1(C2CCCCC2)CCCCC1)c1ccccc1
InChIInChI=1S/C19H26O2/c20-18(16-10-4-1-5-11-16)21-19(14-8-3-9-15-19)17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2
InChIKeyRUDSFUWFBGEIOD-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclohexyl) benzoate?
The IUPAC name of (1-cyclohexylcyclohexyl) benzoate (CID 54286012) is (1-cyclohexylcyclohexyl) benzoate.
What is the SMILES notation for (1-cyclohexylcyclohexyl) benzoate?
The canonical SMILES for (1-cyclohexylcyclohexyl) benzoate is O=C(OC1(C2CCCCC2)CCCCC1)c1ccccc1.
What is the InChIKey of (1-cyclohexylcyclohexyl) benzoate?
The InChIKey is RUDSFUWFBGEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-18(16-10-4-1-5-11-16)21-19(14-8-3-9-15-19)17-12-6-2-7-13-17/h1,4-5,10-11,17H,2-3,6-9,12-15H2.
What are the key properties of (1-cyclohexylcyclohexyl) benzoate?
(1-cyclohexylcyclohexyl) benzoate has a molecular weight of 286.41 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclohexyl) benzoate is sourced from PubChem (CID 54286012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).