1-cyclohexylbutyl 2-ethenylbenzoate

C19H26O2 — CID 174632466

IUPAC1-cyclohexylbutyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OC(CCC)C1CCCCC1
InChIInChI=1S/C19H26O2/c1-3-10-18(16-12-6-5-7-13-16)21-19(20)17-14-9-8-11-15(17)4-2/h4,8-9,11,14,16,18H,2-3,5-7,10,12-13H2,1H3
InChIKeyOEPHPZDEMYTDRS-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.24
Rot. Bonds6

About 1-cyclohexylbutyl 2-ethenylbenzoate

1-cyclohexylbutyl 2-ethenylbenzoate (PubChem CID 174632466) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-cyclohexylbutyl 2-ethenylbenzoate.

Molecular Properties

Compound Name1-cyclohexylbutyl 2-ethenylbenzoate
PubChem CID174632466
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name1-cyclohexylbutyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OC(CCC)C1CCCCC1
InChIInChI=1S/C19H26O2/c1-3-10-18(16-12-6-5-7-13-16)21-19(20)17-14-9-8-11-15(17)4-2/h4,8-9,11,14,16,18H,2-3,5-7,10,12-13H2,1H3
InChIKeyOEPHPZDEMYTDRS-UHFFFAOYSA-N
XLogP5.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate
CID 67203893
(1-cyclohexyl-2-hydroxyethyl) benzoate
CID 85344980
decyl 2-ethenylbenzoate
CID 139672721
3-benzoyloxy-3-cyclohexylpropanoic acid
CID 170239924
bis(1-ethenoxybutyl) benzene-1,2-dicarboxylate
CID 175289007
[(1R,3S)-1-cyclohexyl-3-hydroxy-3-phenylpropyl] acetate
CID 10802419
methyl 2-ethenylbenzoate;prop-2-enoic acid
CID 175189023
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
[2-cyclohexyl-2-(2-cyclohexyl-4-pentan-2-ylbenzoyl)oxyethyl] 2-cyclohexyl-4-pentan-2-ylbenzoate
CID 19742499
[(1R)-1-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] benzoate
CID 129389441
prop-2-enyl 2-cyclohexylbenzoate
CID 175178065
1-(2-ethenylphenyl)ethanone;prop-2-enoic acid
CID 175101646

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylbutyl 2-ethenylbenzoate?
The IUPAC name of 1-cyclohexylbutyl 2-ethenylbenzoate (CID 174632466) is 1-cyclohexylbutyl 2-ethenylbenzoate.
What is the SMILES notation for 1-cyclohexylbutyl 2-ethenylbenzoate?
The canonical SMILES for 1-cyclohexylbutyl 2-ethenylbenzoate is C=Cc1ccccc1C(=O)OC(CCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexylbutyl 2-ethenylbenzoate?
The InChIKey is OEPHPZDEMYTDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-3-10-18(16-12-6-5-7-13-16)21-19(20)17-14-9-8-11-15(17)4-2/h4,8-9,11,14,16,18H,2-3,5-7,10,12-13H2,1H3.
What are the key properties of 1-cyclohexylbutyl 2-ethenylbenzoate?
1-cyclohexylbutyl 2-ethenylbenzoate has a molecular weight of 286.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbutyl 2-ethenylbenzoate is sourced from PubChem (CID 174632466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).