[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene

C23H31OP — CID 10021038

IUPAC[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
SMILESCC/C=C(\C)C(CCCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31OP/c1-4-6-9-19-23(20(3)14-5-2)25(24,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-18,23H,4-6,9,19H2,1-3H3/b20-14+
InChIKeyMPUGDRSSBGLMPJ-XSFVSMFZSA-N
MW354.47 g/mol
LogP6.31
Rot. Bonds9

About [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene

[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene (PubChem CID 10021038) has the molecular formula C23H31OP and a molecular weight of 354.47 g/mol. Its IUPAC name is [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
PubChem CID10021038
Molecular FormulaC23H31OP
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
SMILESCC/C=C(\C)C(CCCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31OP/c1-4-6-9-19-23(20(3)14-5-2)25(24,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-18,23H,4-6,9,19H2,1-3H3/b20-14+
InChIKeyMPUGDRSSBGLMPJ-XSFVSMFZSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.47
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
4-diphenylphosphoryl-2-methyltridec-2-en-5-one
CID 84820800
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
CID 11743555
2-[(2R)-1-diphenylphosphoryloctan-2-yl]furan
CID 122375580
4-(butylamino)-4-diphenylphosphorylbutan-1-ol
CID 162408899
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
1-phenoxypentadecylphosphonic acid
CID 118692933
4-methyldec-3-en-5-ol;pentyl 2-hydroxybenzoate
CID 70269457
N-benzyl-N-(1-diphenylphosphorylbutyl)hydroxylamine
CID 175479837

Frequently Asked Questions

What is the IUPAC name of [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene?
The IUPAC name of [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene (CID 10021038) is [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene is CC/C=C(\C)C(CCCCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene?
The InChIKey is MPUGDRSSBGLMPJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H31OP/c1-4-6-9-19-23(20(3)14-5-2)25(24,21-15-10-7-11-16-21)22-17-12-8-13-18-22/h7-8,10-18,23H,4-6,9,19H2,1-3H3/b20-14+.
What are the key properties of [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene?
[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene has a molecular weight of 354.47 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 10021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).