[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane

C9H21O4PSi — CID 23415625

IUPAC[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
SMILESCCOP(=O)(/C=C/O[Si](C)(C)C)OCC
InChIInChI=1S/C9H21O4PSi/c1-6-11-14(10,12-7-2)9-8-13-15(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+
InChIKeyJVXHOQQVWMYRSK-CMDGGOBGSA-N
MW252.32 g/mol
LogP3.58
Rot. Bonds7

About [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane

[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane (PubChem CID 23415625) has the molecular formula C9H21O4PSi and a molecular weight of 252.32 g/mol. Its IUPAC name is [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
PubChem CID23415625
Molecular FormulaC9H21O4PSi
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC Name[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
SMILESCCOP(=O)(/C=C/O[Si](C)(C)C)OCC
InChIInChI=1S/C9H21O4PSi/c1-6-11-14(10,12-7-2)9-8-13-15(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+
InChIKeyJVXHOQQVWMYRSK-CMDGGOBGSA-N
XLogP3.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 134857162
CID 134857162
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
(1E,3E)-4-diethoxyphosphoryl-2-methylbuta-1,3-dien-1-ol
CID 15453808
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
CID 139664435
3-(diethoxyphosphorylmethylidene)oxetane
CID 46203851
1-diethoxyphosphoryl-3-methyl-3-nitrosobut-1-ene
CID 174930792
1-[butoxy(2-ethoxyethenyl)phosphoryl]oxybutane
CID 71350073
1-[(Z)-2-diethoxyphosphorylethenyl]-4-methoxybenzene
CID 122219691
tributyl-[(E)-2-diethoxyphosphorylethenyl]stannane
CID 177387685
lithium bis(diethoxyphosphoryl)methyl-trimethylsilane
CID 10428952
ethyl trimethylsilyl hydrogen phosphate
CID 19079822

Frequently Asked Questions

What is the IUPAC name of [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane?
The IUPAC name of [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane (CID 23415625) is [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane.
What is the SMILES notation for [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane?
The canonical SMILES for [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane is CCOP(=O)(/C=C/O[Si](C)(C)C)OCC.
What is the InChIKey of [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane?
The InChIKey is JVXHOQQVWMYRSK-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H21O4PSi/c1-6-11-14(10,12-7-2)9-8-13-15(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+.
What are the key properties of [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane?
[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane has a molecular weight of 252.32 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane is sourced from PubChem (CID 23415625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).