(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol

C20H25O2P — CID 11099511

IUPAC(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol
SMILESCC[C@@H](C)[C@@H](/C=C/CO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O2P/c1-3-17(2)20(15-10-16-21)23(22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-15,17,20-21H,3,16H2,1-2H3/b15-10+/t17-,20-/m1/s1
InChIKeyPRTDLNOOJLQXCZ-NNFIISAESA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds7

About (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol

(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol (PubChem CID 11099511) has the molecular formula C20H25O2P and a molecular weight of 328.39 g/mol. Its IUPAC name is (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol.

Molecular Properties

Compound Name(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol
PubChem CID11099511
Molecular FormulaC20H25O2P
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol
SMILESCC[C@@H](C)[C@@H](/C=C/CO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O2P/c1-3-17(2)20(15-10-16-21)23(22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-15,17,20-21H,3,16H2,1-2H3/b15-10+/t17-,20-/m1/s1
InChIKeyPRTDLNOOJLQXCZ-NNFIISAESA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
CID 141334363
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
[5-diphenylphosphoryloxyheptan-3-yloxy(phenyl)phosphoryl]benzene
CID 90416942
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
1-(1-diphenylphosphorylethoxy)-2-methylpropan-2-ol
CID 14928098
(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740
4-diphenylphosphorylpentan-2-one
CID 13202508
1-diphenylphosphorylpropoxy(trimethyl)silane
CID 12930453
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
N-[methyl(phenyl)phosphoryl]butan-2-amine
CID 15424710
4-diphenylphosphorylpent-1-en-3-one
CID 162717312

Frequently Asked Questions

What is the IUPAC name of (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol?
The IUPAC name of (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol (CID 11099511) is (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol.
What is the SMILES notation for (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol?
The canonical SMILES for (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol is CC[C@@H](C)[C@@H](/C=C/CO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol?
The InChIKey is PRTDLNOOJLQXCZ-NNFIISAESA-N. The full InChI is InChI=1S/C20H25O2P/c1-3-17(2)20(15-10-16-21)23(22,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-15,17,20-21H,3,16H2,1-2H3/b15-10+/t17-,20-/m1/s1.
What are the key properties of (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol?
(E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol has a molecular weight of 328.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,5R)-4-diphenylphosphoryl-5-methylhept-2-en-1-ol is sourced from PubChem (CID 11099511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).