1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate

C24H42O2 — CID 143266128

IUPAC1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate
SMILESCCC1CCCC(C2CCC(C(=O)OC(C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-19-8-7-11-21(13-12-19)22-14-16-23(17-15-22)24(25)26-18(2)20-9-5-4-6-10-20/h18-23H,3-17H2,1-2H3
InChIKeyRYFLSSSPYAAMLQ-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.91
Rot. Bonds5

About 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate

1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate (PubChem CID 143266128) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate
PubChem CID143266128
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate
SMILESCCC1CCCC(C2CCC(C(=O)OC(C)C3CCCCC3)CC2)CC1
InChIInChI=1S/C24H42O2/c1-3-19-8-7-11-21(13-12-19)22-14-16-23(17-15-22)24(25)26-18(2)20-9-5-4-6-10-20/h18-23H,3-17H2,1-2H3
InChIKeyRYFLSSSPYAAMLQ-UHFFFAOYSA-N
XLogP6.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylpropyl 4-(4-hydroxycyclohexyl)cyclohexane-1-carboxylate
CID 67890075
propan-2-yl cyclopropanecarboxylate
CID 550170
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-ethylcyclohexyl)methanone
CID 114975947
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
[(2S)-pentan-2-yl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 70455312
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
propan-2-yl 4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxylate
CID 71263253
cyclooctyl-(4-ethylcyclohexyl)methanol
CID 80602985
cyclohexyl-(4-ethylcyclohexyl)methanol
CID 64749927
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate?
The IUPAC name of 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate (CID 143266128) is 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate?
The canonical SMILES for 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate is CCC1CCCC(C2CCC(C(=O)OC(C)C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate?
The InChIKey is RYFLSSSPYAAMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-19-8-7-11-21(13-12-19)22-14-16-23(17-15-22)24(25)26-18(2)20-9-5-4-6-10-20/h18-23H,3-17H2,1-2H3.
What are the key properties of 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate?
1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate has a molecular weight of 362.60 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl 4-(4-ethylcycloheptyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 143266128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).