[3-(4-propylcyclohexyl)cyclohexyl] propanoate

C18H32O2 — CID 23041175

IUPAC[3-(4-propylcyclohexyl)cyclohexyl] propanoate
SMILESCCCC1CCC(C2CCCC(OC(=O)CC)C2)CC1
InChIInChI=1S/C18H32O2/c1-3-6-14-9-11-15(12-10-14)16-7-5-8-17(13-16)20-18(19)4-2/h14-17H,3-13H2,1-2H3
InChIKeyXYGDXBFBRAMSOC-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.10
Rot. Bonds5

About [3-(4-propylcyclohexyl)cyclohexyl] propanoate

[3-(4-propylcyclohexyl)cyclohexyl] propanoate (PubChem CID 23041175) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is [3-(4-propylcyclohexyl)cyclohexyl] propanoate.

Molecular Properties

Compound Name[3-(4-propylcyclohexyl)cyclohexyl] propanoate
PubChem CID23041175
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name[3-(4-propylcyclohexyl)cyclohexyl] propanoate
SMILESCCCC1CCC(C2CCCC(OC(=O)CC)C2)CC1
InChIInChI=1S/C18H32O2/c1-3-6-14-9-11-15(12-10-14)16-7-5-8-17(13-16)20-18(19)4-2/h14-17H,3-13H2,1-2H3
InChIKeyXYGDXBFBRAMSOC-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propylcyclohexyl)cyclohexyl] propanoate?
The IUPAC name of [3-(4-propylcyclohexyl)cyclohexyl] propanoate (CID 23041175) is [3-(4-propylcyclohexyl)cyclohexyl] propanoate.
What is the SMILES notation for [3-(4-propylcyclohexyl)cyclohexyl] propanoate?
The canonical SMILES for [3-(4-propylcyclohexyl)cyclohexyl] propanoate is CCCC1CCC(C2CCCC(OC(=O)CC)C2)CC1.
What is the InChIKey of [3-(4-propylcyclohexyl)cyclohexyl] propanoate?
The InChIKey is XYGDXBFBRAMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-6-14-9-11-15(12-10-14)16-7-5-8-17(13-16)20-18(19)4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of [3-(4-propylcyclohexyl)cyclohexyl] propanoate?
[3-(4-propylcyclohexyl)cyclohexyl] propanoate has a molecular weight of 280.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylcyclohexyl)cyclohexyl] propanoate is sourced from PubChem (CID 23041175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).