propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate

C24H42O2 — CID 70447326

IUPACpropyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1(C2(CC)CCC(C3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C24H42O2/c1-3-19-26-22(25)24(15-9-6-10-16-24)23(4-2)17-13-21(14-18-23)20-11-7-5-8-12-20/h20-21H,3-19H2,1-2H3
InChIKeyNVLTVEHAAQUROC-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.06
Rot. Bonds6

About propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate

propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 70447326) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID70447326
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Namepropyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1(C2(CC)CCC(C3CCCCC3)CC2)CCCCC1
InChIInChI=1S/C24H42O2/c1-3-19-26-22(25)24(15-9-6-10-16-24)23(4-2)17-13-21(14-18-23)20-11-7-5-8-12-20/h20-21H,3-19H2,1-2H3
InChIKeyNVLTVEHAAQUROC-UHFFFAOYSA-N
XLogP7.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate (CID 70447326) is propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate is CCCOC(=O)C1(C2(CC)CCC(C3CCCCC3)CC2)CCCCC1.
What is the InChIKey of propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is NVLTVEHAAQUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-19-26-22(25)24(15-9-6-10-16-24)23(4-2)17-13-21(14-18-23)20-11-7-5-8-12-20/h20-21H,3-19H2,1-2H3.
What are the key properties of propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate?
propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 362.60 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 70447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).