[4-(4-propylcyclohexyl)cyclohexyl] butanoate

C19H34O2 — CID 609770

IUPAC[4-(4-propylcyclohexyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)6-4-2/h15-18H,3-14H2,1-2H3
InChIKeyOADUQHRYDSNCHA-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.49
Rot. Bonds6

About [4-(4-propylcyclohexyl)cyclohexyl] butanoate

[4-(4-propylcyclohexyl)cyclohexyl] butanoate (PubChem CID 609770) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is [4-(4-propylcyclohexyl)cyclohexyl] butanoate.

Molecular Properties

Compound Name[4-(4-propylcyclohexyl)cyclohexyl] butanoate
PubChem CID609770
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name[4-(4-propylcyclohexyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O2/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)6-4-2/h15-18H,3-14H2,1-2H3
InChIKeyOADUQHRYDSNCHA-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-propylcyclohexyl)cyclohexyl] butanoate?
The IUPAC name of [4-(4-propylcyclohexyl)cyclohexyl] butanoate (CID 609770) is [4-(4-propylcyclohexyl)cyclohexyl] butanoate.
What is the SMILES notation for [4-(4-propylcyclohexyl)cyclohexyl] butanoate?
The canonical SMILES for [4-(4-propylcyclohexyl)cyclohexyl] butanoate is CCCC(=O)OC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of [4-(4-propylcyclohexyl)cyclohexyl] butanoate?
The InChIKey is OADUQHRYDSNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-19(20)6-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of [4-(4-propylcyclohexyl)cyclohexyl] butanoate?
[4-(4-propylcyclohexyl)cyclohexyl] butanoate has a molecular weight of 294.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylcyclohexyl)cyclohexyl] butanoate is sourced from PubChem (CID 609770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).