[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane

C33H51O2P — CID 58388385

IUPAC[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane
SMILESCCCCCCCC/C=C/CCCCCCCCOPOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C33H51O2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-34-36-35-32-27-25-31(26-28-32)33(2,3)30-23-20-19-21-24-30/h11-12,19-21,23-28,36H,4-10,13-18,22,29H2,1-3H3/b12-11+
InChIKeyIJJDXROVBWJXEQ-VAWYXSNFSA-N
MW510.74 g/mol
LogP10.95
Rot. Bonds21

About [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane

[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane (PubChem CID 58388385) has the molecular formula C33H51O2P and a molecular weight of 510.74 g/mol. Its IUPAC name is [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane.

Molecular Properties

Compound Name[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane
PubChem CID58388385
Molecular FormulaC33H51O2P
Molecular Weight510.74 g/mol
Exact Mass510.36
IUPAC Name[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane
SMILESCCCCCCCC/C=C/CCCCCCCCOPOc1ccc(C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C33H51O2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-34-36-35-32-27-25-31(26-28-32)33(2,3)30-23-20-19-21-24-30/h11-12,19-21,23-28,36H,4-10,13-18,22,29H2,1-3H3/b12-11+
InChIKeyIJJDXROVBWJXEQ-VAWYXSNFSA-N
XLogP10.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.74
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(E)-octadec-9-enyl] bis[4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 126572970
bis[(Z)-octadec-9-enoxy]phosphane
CID 88561354
bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
CID 70492452
CID 70492452
dimethyl-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
CID 91745154
[4-(2-phenylpropan-2-yl)phenoxy]-(2-propylheptoxy)phosphane;[4-(2-phenylpropan-2-yl)phenyl] bis(2-propylheptyl) phosphite
CID 158586699
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[(Z)-docos-13-enoxy]propan-2-ol
CID 118667697
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-hexyl-4-[2-(4-hexylphenyl)propan-2-yl]benzene;1-methoxy-4-(2-phenylpropan-2-yl)benzene;1-octyl-4-[2-(4-octylphenyl)propan-2-yl]benzene
CID 123210298
2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
CID 122215800
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
1-[2,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 68663211
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223

Frequently Asked Questions

What is the IUPAC name of [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane?
The IUPAC name of [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane (CID 58388385) is [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane.
What is the SMILES notation for [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane?
The canonical SMILES for [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane is CCCCCCCC/C=C/CCCCCCCCOPOc1ccc(C(C)(C)c2ccccc2)cc1.
What is the InChIKey of [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane?
The InChIKey is IJJDXROVBWJXEQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C33H51O2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-34-36-35-32-27-25-31(26-28-32)33(2,3)30-23-20-19-21-24-30/h11-12,19-21,23-28,36H,4-10,13-18,22,29H2,1-3H3/b12-11+.
What are the key properties of [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane?
[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane has a molecular weight of 510.74 g/mol, XLogP of 10.95, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane is sourced from PubChem (CID 58388385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).