(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane

C13H23O4PSi — CID 11347186

IUPAC(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
SMILESCOP(=O)(OC)C(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H23O4PSi/c1-15-18(14,16-2)13(17-19(3,4)5)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKeyJDQKQCQVHBPJNC-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.89
Rot. Bonds7

About (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane

(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane (PubChem CID 11347186) has the molecular formula C13H23O4PSi and a molecular weight of 302.38 g/mol. Its IUPAC name is (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
PubChem CID11347186
Molecular FormulaC13H23O4PSi
Molecular Weight302.38 g/mol
Exact Mass302.11
IUPAC Name(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
SMILESCOP(=O)(OC)C(Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H23O4PSi/c1-15-18(14,16-2)13(17-19(3,4)5)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKeyJDQKQCQVHBPJNC-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
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

[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
1-diphenylphosphorylpropoxy(trimethyl)silane
CID 12930453
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate
CID 102206576
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
[(2R,4S)-1,5-bis(phenylmethoxy)-4-trimethylsilyloxypentan-2-yl]oxy-trimethylsilane
CID 134878735
[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate
CID 102230089
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
trimethyl-(1-naphthalen-1-yl-2-phenylethoxy)silane
CID 101130893
1-dimethoxyphosphorylpropyl benzoate
CID 134920574
[benzyl(methoxy)phosphoryl]methanol
CID 54224349

Frequently Asked Questions

What is the IUPAC name of (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane?
The IUPAC name of (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane (CID 11347186) is (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane.
What is the SMILES notation for (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane?
The canonical SMILES for (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane is COP(=O)(OC)C(Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane?
The InChIKey is JDQKQCQVHBPJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O4PSi/c1-15-18(14,16-2)13(17-19(3,4)5)11-12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3.
What are the key properties of (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane?
(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane has a molecular weight of 302.38 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane is sourced from PubChem (CID 11347186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).