trichloro-(1-methoxy-2-phenylethyl)silane

C9H11Cl3OSi — CID 67232088

IUPACtrichloro-(1-methoxy-2-phenylethyl)silane
SMILESCOC(Cc1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H11Cl3OSi/c1-13-9(14(10,11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyBDMQNPJJRRLDKQ-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.44
Rot. Bonds4

About trichloro-(1-methoxy-2-phenylethyl)silane

trichloro-(1-methoxy-2-phenylethyl)silane (PubChem CID 67232088) has the molecular formula C9H11Cl3OSi and a molecular weight of 269.63 g/mol. Its IUPAC name is trichloro-(1-methoxy-2-phenylethyl)silane.

Molecular Properties

Compound Nametrichloro-(1-methoxy-2-phenylethyl)silane
PubChem CID67232088
Molecular FormulaC9H11Cl3OSi
Molecular Weight269.63 g/mol
Exact Mass267.96
IUPAC Nametrichloro-(1-methoxy-2-phenylethyl)silane
SMILESCOC(Cc1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C9H11Cl3OSi/c1-13-9(14(10,11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyBDMQNPJJRRLDKQ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-2-phenylethyl)-trimethylstannane
CID 121014115
(1R)-1-methoxy-2-phenylethanolate
CID 138975642
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
trichloro(1-phenylbut-3-en-2-yl)silane
CID 21185625
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
CID 98043941
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
4-methoxy-3-methyl-1-phenylbutan-2-amine
CID 115625025
[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487

Frequently Asked Questions

What is the IUPAC name of trichloro-(1-methoxy-2-phenylethyl)silane?
The IUPAC name of trichloro-(1-methoxy-2-phenylethyl)silane (CID 67232088) is trichloro-(1-methoxy-2-phenylethyl)silane.
What is the SMILES notation for trichloro-(1-methoxy-2-phenylethyl)silane?
The canonical SMILES for trichloro-(1-methoxy-2-phenylethyl)silane is COC(Cc1ccccc1)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-(1-methoxy-2-phenylethyl)silane?
The InChIKey is BDMQNPJJRRLDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3OSi/c1-13-9(14(10,11)12)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of trichloro-(1-methoxy-2-phenylethyl)silane?
trichloro-(1-methoxy-2-phenylethyl)silane has a molecular weight of 269.63 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(1-methoxy-2-phenylethyl)silane is sourced from PubChem (CID 67232088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).