(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol

C20H35O4PSi — CID 10692272

IUPAC(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C20H35O4PSi/c1-8-23-25(22,24-9-2)20(26(5,6)7,19(21)17(3)4)16-15-18-13-11-10-12-14-18/h10-17,19,21H,8-9H2,1-7H3/b16-15+
InChIKeyDRTMMJZRMFOXON-FOCLMDBBSA-N
MW398.56 g/mol
LogP5.60
Rot. Bonds10

About (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol

(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol (PubChem CID 10692272) has the molecular formula C20H35O4PSi and a molecular weight of 398.56 g/mol. Its IUPAC name is (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol
PubChem CID10692272
Molecular FormulaC20H35O4PSi
Molecular Weight398.56 g/mol
Exact Mass398.20
IUPAC Name(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol
SMILESCCOP(=O)(OCC)C(/C=C/c1ccccc1)(C(O)C(C)C)[Si](C)(C)C
InChIInChI=1S/C20H35O4PSi/c1-8-23-25(22,24-9-2)20(26(5,6)7,19(21)17(3)4)16-15-18-13-11-10-12-14-18/h10-17,19,21H,8-9H2,1-7H3/b16-15+
InChIKeyDRTMMJZRMFOXON-FOCLMDBBSA-N
XLogP5.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.56
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
CID 10568157
ethyl (E,2R,3S)-2-diethoxyphosphoryl-3-methyl-5-phenylpent-4-enoate
CID 101469617
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
1-[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]-4-fluorobenzene
CID 101098384
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
(2S,5R)-2-[(2Z,4E)-2-diethoxyphosphoryl-5-phenylpenta-2,4-dienyl]-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 102246538
[(1E,3Z)-4-diethoxyphosphoryl-4-fluorobuta-1,3-dienyl]benzene
CID 135002683
4-[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]morpholine
CID 11198557
ethyl (E)-2-diethoxyphosphoryl-3-oxo-5-phenylpent-4-enoate
CID 10713093
ethyl (E,2S)-2-diethoxyphosphoryl-5-phenylpent-4-enoate
CID 129408619

Frequently Asked Questions

What is the IUPAC name of (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol?
The IUPAC name of (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol (CID 10692272) is (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol.
What is the SMILES notation for (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol?
The canonical SMILES for (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol is CCOP(=O)(OCC)C(/C=C/c1ccccc1)(C(O)C(C)C)[Si](C)(C)C.
What is the InChIKey of (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol?
The InChIKey is DRTMMJZRMFOXON-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H35O4PSi/c1-8-23-25(22,24-9-2)20(26(5,6)7,19(21)17(3)4)16-15-18-13-11-10-12-14-18/h10-17,19,21H,8-9H2,1-7H3/b16-15+.
What are the key properties of (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol?
(E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol has a molecular weight of 398.56 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-diethoxyphosphoryl-2-methyl-6-phenyl-4-trimethylsilylhex-5-en-3-ol is sourced from PubChem (CID 10692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).