[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene

C14H19OP — CID 59707595

IUPAC[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
SMILESC[P@](=O)(/C=C/C1CCCC1)c1ccccc1
InChIInChI=1S/C14H19OP/c1-16(15,14-9-3-2-4-10-14)12-11-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3/b12-11+/t16-/m0/s1
InChIKeyMMZQUOMVVDHAJY-PCUGXKRQSA-N
MW234.28 g/mol
LogP4.01
Rot. Bonds3

About [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene

[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene (PubChem CID 59707595) has the molecular formula C14H19OP and a molecular weight of 234.28 g/mol. Its IUPAC name is [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene.

Molecular Properties

Compound Name[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
PubChem CID59707595
Molecular FormulaC14H19OP
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
SMILESC[P@](=O)(/C=C/C1CCCC1)c1ccccc1
InChIInChI=1S/C14H19OP/c1-16(15,14-9-3-2-4-10-14)12-11-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3/b12-11+/t16-/m0/s1
InChIKeyMMZQUOMVVDHAJY-PCUGXKRQSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopentylmethylidene(triphenyl)-lambda5-phosphane
CID 14064941
[ethenyl(methyl)phosphoryl]benzene
CID 10920870
cyclobutylmethylidene(triphenyl)-lambda5-phosphane
CID 14064940
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene
CID 59707583
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
[(E)-2-cyclohexylethenyl]-diphenylsulfanium
CID 140665581
1-cyclohexyl-2-diphenylphosphorylpropan-1-one
CID 10893177
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119

Frequently Asked Questions

What is the IUPAC name of [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene?
The IUPAC name of [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene (CID 59707595) is [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene.
What is the SMILES notation for [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene?
The canonical SMILES for [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene is C[P@](=O)(/C=C/C1CCCC1)c1ccccc1.
What is the InChIKey of [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene?
The InChIKey is MMZQUOMVVDHAJY-PCUGXKRQSA-N. The full InChI is InChI=1S/C14H19OP/c1-16(15,14-9-3-2-4-10-14)12-11-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3/b12-11+/t16-/m0/s1.
What are the key properties of [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene?
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene has a molecular weight of 234.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene is sourced from PubChem (CID 59707595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).