propyl (E)-3-cyclohexylprop-2-enoate

C12H20O2 — CID 10750409

IUPACpropyl (E)-3-cyclohexylprop-2-enoate
SMILESCCCOC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKeyTYUDJFQGVCTQNR-CMDGGOBGSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds4

About propyl (E)-3-cyclohexylprop-2-enoate

propyl (E)-3-cyclohexylprop-2-enoate (PubChem CID 10750409) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is propyl (E)-3-cyclohexylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-cyclohexylprop-2-enoate
PubChem CID10750409
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namepropyl (E)-3-cyclohexylprop-2-enoate
SMILESCCCOC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3/b9-8+
InChIKeyTYUDJFQGVCTQNR-CMDGGOBGSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
propyl (E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoate
CID 67864368
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001
3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
CID 10634969
propyl 3-(2-hydroxycyclohexyl)oxyprop-2-enoate
CID 135383641
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
propyl 3-aminoprop-2-enoate
CID 154061664
3-cyclohexylprop-2-enamide
CID 54292987
4-O-(cyclohexylmethyl) 1-O-heptadecyl (E)-but-2-enedioate
CID 91700938

Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-cyclohexylprop-2-enoate?
The IUPAC name of propyl (E)-3-cyclohexylprop-2-enoate (CID 10750409) is propyl (E)-3-cyclohexylprop-2-enoate.
What is the SMILES notation for propyl (E)-3-cyclohexylprop-2-enoate?
The canonical SMILES for propyl (E)-3-cyclohexylprop-2-enoate is CCCOC(=O)/C=C/C1CCCCC1.
What is the InChIKey of propyl (E)-3-cyclohexylprop-2-enoate?
The InChIKey is TYUDJFQGVCTQNR-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3/b9-8+.
What are the key properties of propyl (E)-3-cyclohexylprop-2-enoate?
propyl (E)-3-cyclohexylprop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-cyclohexylprop-2-enoate is sourced from PubChem (CID 10750409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).