[butyl(decan-2-yl)phosphoryl]benzene

C20H35OP — CID 3575781

IUPAC[butyl(decan-2-yl)phosphoryl]benzene
SMILESCCCCCCCCC(C)P(=O)(CCCC)c1ccccc1
InChIInChI=1S/C20H35OP/c1-4-6-8-9-10-12-15-19(3)22(21,18-7-5-2)20-16-13-11-14-17-20/h11,13-14,16-17,19H,4-10,12,15,18H2,1-3H3
InChIKeyVMURADZEFNJWGI-UHFFFAOYSA-N
MW322.47 g/mol
LogP6.61
Rot. Bonds12

About [butyl(decan-2-yl)phosphoryl]benzene

[butyl(decan-2-yl)phosphoryl]benzene (PubChem CID 3575781) has the molecular formula C20H35OP and a molecular weight of 322.47 g/mol. Its IUPAC name is [butyl(decan-2-yl)phosphoryl]benzene.

Molecular Properties

Compound Name[butyl(decan-2-yl)phosphoryl]benzene
PubChem CID3575781
Molecular FormulaC20H35OP
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name[butyl(decan-2-yl)phosphoryl]benzene
SMILESCCCCCCCCC(C)P(=O)(CCCC)c1ccccc1
InChIInChI=1S/C20H35OP/c1-4-6-8-9-10-12-15-19(3)22(21,18-7-5-2)20-16-13-11-14-17-20/h11,13-14,16-17,19H,4-10,12,15,18H2,1-3H3
InChIKeyVMURADZEFNJWGI-UHFFFAOYSA-N
XLogP6.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
CID 102456794
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
[butyl(phenyl)phosphoryl]-[2-[butyl(phenyl)phosphoryl]carbonylphenyl]methanone
CID 58825409
2-benzyldodecanoic acid
CID 14250629
dipentylphosphorylbenzene;methane;1,3,5-trimethylbenzene
CID 174903379

Frequently Asked Questions

What is the IUPAC name of [butyl(decan-2-yl)phosphoryl]benzene?
The IUPAC name of [butyl(decan-2-yl)phosphoryl]benzene (CID 3575781) is [butyl(decan-2-yl)phosphoryl]benzene.
What is the SMILES notation for [butyl(decan-2-yl)phosphoryl]benzene?
The canonical SMILES for [butyl(decan-2-yl)phosphoryl]benzene is CCCCCCCCC(C)P(=O)(CCCC)c1ccccc1.
What is the InChIKey of [butyl(decan-2-yl)phosphoryl]benzene?
The InChIKey is VMURADZEFNJWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35OP/c1-4-6-8-9-10-12-15-19(3)22(21,18-7-5-2)20-16-13-11-14-17-20/h11,13-14,16-17,19H,4-10,12,15,18H2,1-3H3.
What are the key properties of [butyl(decan-2-yl)phosphoryl]benzene?
[butyl(decan-2-yl)phosphoryl]benzene has a molecular weight of 322.47 g/mol, XLogP of 6.61, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(decan-2-yl)phosphoryl]benzene is sourced from PubChem (CID 3575781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).