prop-2-enyl 2-cyclohexylbenzoate

C16H20O2 — CID 175178065

IUPACprop-2-enyl 2-cyclohexylbenzoate
SMILESC=CCOC(=O)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H20O2/c1-2-12-18-16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2
InChIKeySEQBCMKUPZPSJC-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.08
Rot. Bonds4

About prop-2-enyl 2-cyclohexylbenzoate

prop-2-enyl 2-cyclohexylbenzoate (PubChem CID 175178065) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is prop-2-enyl 2-cyclohexylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyclohexylbenzoate
PubChem CID175178065
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Nameprop-2-enyl 2-cyclohexylbenzoate
SMILESC=CCOC(=O)c1ccccc1C1CCCCC1
InChIInChI=1S/C16H20O2/c1-2-12-18-16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2
InChIKeySEQBCMKUPZPSJC-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclobutylbenzoate
CID 106942755
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968
ethyl 2-cyclopropylbenzoate
CID 118105330
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-cyclopentylbenzohydrazide
CID 68852694
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
2-cyclohexyl-N-oxobenzamide
CID 88502086
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-cyclohexylbenzoate?
The IUPAC name of prop-2-enyl 2-cyclohexylbenzoate (CID 175178065) is prop-2-enyl 2-cyclohexylbenzoate.
What is the SMILES notation for prop-2-enyl 2-cyclohexylbenzoate?
The canonical SMILES for prop-2-enyl 2-cyclohexylbenzoate is C=CCOC(=O)c1ccccc1C1CCCCC1.
What is the InChIKey of prop-2-enyl 2-cyclohexylbenzoate?
The InChIKey is SEQBCMKUPZPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-12-18-16(17)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2.
What are the key properties of prop-2-enyl 2-cyclohexylbenzoate?
prop-2-enyl 2-cyclohexylbenzoate has a molecular weight of 244.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyclohexylbenzoate is sourced from PubChem (CID 175178065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).