[2-ethylhexoxy(tetradecyl)phosphoryl]benzene

C28H51O2P — CID 70125181

IUPAC[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
SMILESCCCCCCCCCCCCCCP(=O)(OCC(CC)CCCC)c1ccccc1
InChIInChI=1S/C28H51O2P/c1-4-7-9-10-11-12-13-14-15-16-17-21-25-31(29,28-23-19-18-20-24-28)30-26-27(6-3)22-8-5-2/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKeyBCSVHVZBVVBGNO-UHFFFAOYSA-N
MW450.69 g/mol
LogP9.52
Rot. Bonds21

About [2-ethylhexoxy(tetradecyl)phosphoryl]benzene

[2-ethylhexoxy(tetradecyl)phosphoryl]benzene (PubChem CID 70125181) has the molecular formula C28H51O2P and a molecular weight of 450.69 g/mol. Its IUPAC name is [2-ethylhexoxy(tetradecyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
PubChem CID70125181
Molecular FormulaC28H51O2P
Molecular Weight450.69 g/mol
Exact Mass450.36
IUPAC Name[2-ethylhexoxy(tetradecyl)phosphoryl]benzene
SMILESCCCCCCCCCCCCCCP(=O)(OCC(CC)CCCC)c1ccccc1
InChIInChI=1S/C28H51O2P/c1-4-7-9-10-11-12-13-14-15-16-17-21-25-31(29,28-23-19-18-20-24-28)30-26-27(6-3)22-8-5-2/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3
InChIKeyBCSVHVZBVVBGNO-UHFFFAOYSA-N
XLogP9.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
2-ethylhexoxy(hexyl)phosphinic acid
CID 141274612
2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
1-[bis(2-ethylhexoxy)phosphoryl]-4-nonylbenzene;neodymium
CID 156502720
N-[bis(2-ethylhexoxy)phosphorylmethyl]-1-phenylmethanamine
CID 15389105
bis(2-ethylhexyl) hydrogen phosphate;[2-ethylhexyl(phenoxy)phosphoryl]oxybenzene;[octyl(phenoxy)phosphoryl]oxybenzene;tributyl phosphate
CID 159422230
dihexylphosphorylmethyl 2-ethylhexyl hydrogen phosphate
CID 100928697
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
[butyl(2,2,2-trifluoroethoxy)phosphoryl]benzene
CID 66796378
1-[butyl(2-ethylhexoxy)phosphoryl]oxydodecane
CID 91716666
2-ethylhexyl diphenyl phosphate;2-methylprop-2-enoic acid
CID 67913752

Frequently Asked Questions

What is the IUPAC name of [2-ethylhexoxy(tetradecyl)phosphoryl]benzene?
The IUPAC name of [2-ethylhexoxy(tetradecyl)phosphoryl]benzene (CID 70125181) is [2-ethylhexoxy(tetradecyl)phosphoryl]benzene.
What is the SMILES notation for [2-ethylhexoxy(tetradecyl)phosphoryl]benzene?
The canonical SMILES for [2-ethylhexoxy(tetradecyl)phosphoryl]benzene is CCCCCCCCCCCCCCP(=O)(OCC(CC)CCCC)c1ccccc1.
What is the InChIKey of [2-ethylhexoxy(tetradecyl)phosphoryl]benzene?
The InChIKey is BCSVHVZBVVBGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51O2P/c1-4-7-9-10-11-12-13-14-15-16-17-21-25-31(29,28-23-19-18-20-24-28)30-26-27(6-3)22-8-5-2/h18-20,23-24,27H,4-17,21-22,25-26H2,1-3H3.
What are the key properties of [2-ethylhexoxy(tetradecyl)phosphoryl]benzene?
[2-ethylhexoxy(tetradecyl)phosphoryl]benzene has a molecular weight of 450.69 g/mol, XLogP of 9.52, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylhexoxy(tetradecyl)phosphoryl]benzene is sourced from PubChem (CID 70125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).