2-(triphenyl-λ5-phosphanylidene)undecan-3-ol

C29H37OP — CID 11743555

IUPAC2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
SMILESCCCCCCCCC(O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37OP/c1-3-4-5-6-7-17-24-29(30)25(2)31(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,3-7,17,24H2,1-2H3
InChIKeyMYKNEYHBWJXMQO-UHFFFAOYSA-N
MW432.59 g/mol
LogP6.28
Rot. Bonds11

About 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol

2-(triphenyl-λ5-phosphanylidene)undecan-3-ol (PubChem CID 11743555) has the molecular formula C29H37OP and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol.

Molecular Properties

Compound Name2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
PubChem CID11743555
Molecular FormulaC29H37OP
Molecular Weight432.59 g/mol
Exact Mass432.26
IUPAC Name2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
SMILESCCCCCCCCC(O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37OP/c1-3-4-5-6-7-17-24-29(30)25(2)31(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,3-7,17,24H2,1-2H3
InChIKeyMYKNEYHBWJXMQO-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
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-1-phenyltetradecan-1-one
CID 54171009
(1R)-1-phenyloctan-1-ol
CID 12794259
1,1-diphenyltetradecan-3-ol
CID 102298194
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
benzyl 2-hydroxydecanoate
CID 139390218
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
CID 98040519
hydroxy-octyl-diphenylphosphanium
CID 67135899
diphenylphosphinate;trihexyl(methyl)phosphanium
CID 18979396
1-anilinohexadecan-1-ol
CID 173133122

Frequently Asked Questions

What is the IUPAC name of 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol?
The IUPAC name of 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol (CID 11743555) is 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol.
What is the SMILES notation for 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol?
The canonical SMILES for 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol is CCCCCCCCC(O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol?
The InChIKey is MYKNEYHBWJXMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37OP/c1-3-4-5-6-7-17-24-29(30)25(2)31(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23,29-30H,3-7,17,24H2,1-2H3.
What are the key properties of 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol?
2-(triphenyl-λ5-phosphanylidene)undecan-3-ol has a molecular weight of 432.59 g/mol, XLogP of 6.28, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triphenyl-λ5-phosphanylidene)undecan-3-ol is sourced from PubChem (CID 11743555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).