(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol

C24H33O2P — CID 98040519

IUPAC(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
SMILESC=C[C@@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33O2P/c1-3-5-6-7-8-15-20-23(25)24(4-2)27(26,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h4,9-14,16-19,23-25H,2-3,5-8,15,20H2,1H3/t23-,24-/m0/s1
InChIKeyAKQMJCCGNHXSSJ-ZEQRLZLVSA-N
MW384.50 g/mol
LogP5.67
Rot. Bonds12

About (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol

(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol (PubChem CID 98040519) has the molecular formula C24H33O2P and a molecular weight of 384.50 g/mol. Its IUPAC name is (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
PubChem CID98040519
Molecular FormulaC24H33O2P
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol
SMILESC=C[C@@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33O2P/c1-3-5-6-7-8-15-20-23(25)24(4-2)27(26,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h4,9-14,16-19,23-25H,2-3,5-8,15,20H2,1H3/t23-,24-/m0/s1
InChIKeyAKQMJCCGNHXSSJ-ZEQRLZLVSA-N
XLogP5.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
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

(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741
(3S,4R)-3-(N-phenylanilino)undec-1-en-4-ol
CID 10893099
[[(E)-4-methyldec-3-en-5-yl]-phenylphosphoryl]benzene
CID 10021038
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
2-decylhexadecyl(phenyl)phosphinic acid
CID 143870973
benzyl (2R,3S)-3-hydroxy-2-methylundecanoate
CID 101265644
4-diphenylphosphoryl-2-methyltridec-2-en-5-one
CID 84820800
(2S,3S)-2-benzyl-3-decylbutanedioic acid
CID 59112992
2-(triphenyl-λ5-phosphanylidene)undecan-3-ol
CID 11743555

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol?
The IUPAC name of (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol (CID 98040519) is (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol.
What is the SMILES notation for (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol?
The canonical SMILES for (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol is C=C[C@@H]([C@@H](O)CCCCCCCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol?
The InChIKey is AKQMJCCGNHXSSJ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H33O2P/c1-3-5-6-7-8-15-20-23(25)24(4-2)27(26,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h4,9-14,16-19,23-25H,2-3,5-8,15,20H2,1H3/t23-,24-/m0/s1.
What are the key properties of (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol?
(3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol has a molecular weight of 384.50 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-diphenylphosphoryldodec-1-en-4-ol is sourced from PubChem (CID 98040519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).