(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol

C29H35O3P — CID 101034914

IUPAC(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol
SMILESC/C=C(\C)[C@@H](O)[C@H](C[C@@H](CC)OCc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35O3P/c1-4-23(3)29(30)28(21-25(5-2)32-22-24-15-9-6-10-16-24)33(31,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4,6-20,25,28-30H,5,21-22H2,1-3H3/b23-4+/t25-,28+,29-/m1/s1
InChIKeyLPPBROGFQKZGBO-QIWHFNFOSA-N
MW462.57 g/mol
LogP6.08
Rot. Bonds11

About (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol

(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol (PubChem CID 101034914) has the molecular formula C29H35O3P and a molecular weight of 462.57 g/mol. Its IUPAC name is (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol.

Molecular Properties

Compound Name(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol
PubChem CID101034914
Molecular FormulaC29H35O3P
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC Name(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol
SMILESC/C=C(\C)[C@@H](O)[C@H](C[C@@H](CC)OCc1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35O3P/c1-4-23(3)29(30)28(21-25(5-2)32-22-24-15-9-6-10-16-24)33(31,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4,6-20,25,28-30H,5,21-22H2,1-3H3/b23-4+/t25-,28+,29-/m1/s1
InChIKeyLPPBROGFQKZGBO-QIWHFNFOSA-N
XLogP6.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S)-2-diphenylphosphoryl-1,4-diphenyl-4-phenylmethoxybutan-1-ol
CID 10896754
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
hexan-3-yloxymethylbenzene
CID 20782034
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
6-phenylmethoxyoctan-3-one
CID 163975632
(2R)-2-(2-phenylmethoxybutyl)butanedioic acid
CID 57018513
2-hydroxy-16-phenylmethoxyoctadecanoic acid
CID 101300485
3-phenylmethoxypentane-1-thiol
CID 21429433
1-phenylmethoxypropyl dihydrogen phosphate
CID 139431115
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
3-[4-(2-phenylmethoxybutyl)phenyl]prop-2-enoic acid
CID 76545170
(4S,5R,6R,8S)-8-cyclohexyl-6-diphenylphosphoryl-8-phenylmethoxyoctane-1,4,5-triol
CID 11800800

Frequently Asked Questions

What is the IUPAC name of (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol?
The IUPAC name of (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol (CID 101034914) is (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol.
What is the SMILES notation for (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol?
The canonical SMILES for (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol is C/C=C(\C)[C@@H](O)[C@H](C[C@@H](CC)OCc1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol?
The InChIKey is LPPBROGFQKZGBO-QIWHFNFOSA-N. The full InChI is InChI=1S/C29H35O3P/c1-4-23(3)29(30)28(21-25(5-2)32-22-24-15-9-6-10-16-24)33(31,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h4,6-20,25,28-30H,5,21-22H2,1-3H3/b23-4+/t25-,28+,29-/m1/s1.
What are the key properties of (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol?
(E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol has a molecular weight of 462.57 g/mol, XLogP of 6.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5S,7R)-5-diphenylphosphoryl-3-methyl-7-phenylmethoxynon-2-en-4-ol is sourced from PubChem (CID 101034914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).