(4-cyclohexylcyclohexyl) benzoate

C19H26O2 — CID 20686453

IUPAC(4-cyclohexylcyclohexyl) benzoate
SMILESO=C(OC1CCC(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C19H26O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2
InChIKeyBIWALRHAOXRWMX-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.98
Rot. Bonds3

About (4-cyclohexylcyclohexyl) benzoate

(4-cyclohexylcyclohexyl) benzoate (PubChem CID 20686453) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (4-cyclohexylcyclohexyl) benzoate.

Molecular Properties

Compound Name(4-cyclohexylcyclohexyl) benzoate
PubChem CID20686453
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(4-cyclohexylcyclohexyl) benzoate
SMILESO=C(OC1CCC(C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C19H26O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2
InChIKeyBIWALRHAOXRWMX-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylcyclohexyl) benzoate?
The IUPAC name of (4-cyclohexylcyclohexyl) benzoate (CID 20686453) is (4-cyclohexylcyclohexyl) benzoate.
What is the SMILES notation for (4-cyclohexylcyclohexyl) benzoate?
The canonical SMILES for (4-cyclohexylcyclohexyl) benzoate is O=C(OC1CCC(C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of (4-cyclohexylcyclohexyl) benzoate?
The InChIKey is BIWALRHAOXRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2.
What are the key properties of (4-cyclohexylcyclohexyl) benzoate?
(4-cyclohexylcyclohexyl) benzoate has a molecular weight of 286.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylcyclohexyl) benzoate is sourced from PubChem (CID 20686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).