methyl (E)-3-dicyclohexylphosphanylprop-2-enoate

C16H27O2P — CID 101442082

IUPACmethyl (E)-3-dicyclohexylphosphanylprop-2-enoate
SMILESCOC(=O)/C=C/P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3/b13-12+
InChIKeyWEXONGXMXQYZGY-OUKQBFOZSA-N
MW282.36 g/mol
LogP4.82
Rot. Bonds4

About methyl (E)-3-dicyclohexylphosphanylprop-2-enoate

methyl (E)-3-dicyclohexylphosphanylprop-2-enoate (PubChem CID 101442082) has the molecular formula C16H27O2P and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl (E)-3-dicyclohexylphosphanylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-dicyclohexylphosphanylprop-2-enoate
PubChem CID101442082
Molecular FormulaC16H27O2P
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Namemethyl (E)-3-dicyclohexylphosphanylprop-2-enoate
SMILESCOC(=O)/C=C/P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3/b13-12+
InChIKeyWEXONGXMXQYZGY-OUKQBFOZSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl(2-dicyclohexylphosphanylethenyl)phosphane
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4-O-cyclopentyl 1-O-methyl (Z)-but-2-enedioate
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methyl 3-(2-methylazepan-1-yl)prop-2-enoate
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methyl (E)-3-cyclobutylprop-2-enoate
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CID 160615105
CID 160615105
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methyl (2Z)-6-(cyclohexylamino)-4-hydroxy-6-oxohexa-2,4-dienoate
CID 54716129
methyl 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)prop-2-enoate
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methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate
CID 79896251
dicyclohexyl (Z)-but-2-enedioate;methyl prop-2-enoate
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CID 101371297

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-dicyclohexylphosphanylprop-2-enoate?
The IUPAC name of methyl (E)-3-dicyclohexylphosphanylprop-2-enoate (CID 101442082) is methyl (E)-3-dicyclohexylphosphanylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-dicyclohexylphosphanylprop-2-enoate?
The canonical SMILES for methyl (E)-3-dicyclohexylphosphanylprop-2-enoate is COC(=O)/C=C/P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of methyl (E)-3-dicyclohexylphosphanylprop-2-enoate?
The InChIKey is WEXONGXMXQYZGY-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H27O2P/c1-18-16(17)12-13-19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12-15H,2-11H2,1H3/b13-12+.
What are the key properties of methyl (E)-3-dicyclohexylphosphanylprop-2-enoate?
methyl (E)-3-dicyclohexylphosphanylprop-2-enoate has a molecular weight of 282.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-dicyclohexylphosphanylprop-2-enoate is sourced from PubChem (CID 101442082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).