[3-(2-chloroethyl)phenyl]-trimethoxysilane

C11H17ClO3Si — CID 66954369

IUPAC[3-(2-chloroethyl)phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1cccc(CCCl)c1
InChIInChI=1S/C11H17ClO3Si/c1-13-16(14-2,15-3)11-6-4-5-10(9-11)7-8-12/h4-6,9H,7-8H2,1-3H3
InChIKeyGYKRDYWISYATGD-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.55
Rot. Bonds6

About [3-(2-chloroethyl)phenyl]-trimethoxysilane

[3-(2-chloroethyl)phenyl]-trimethoxysilane (PubChem CID 66954369) has the molecular formula C11H17ClO3Si and a molecular weight of 260.79 g/mol. Its IUPAC name is [3-(2-chloroethyl)phenyl]-trimethoxysilane.

Molecular Properties

Compound Name[3-(2-chloroethyl)phenyl]-trimethoxysilane
PubChem CID66954369
Molecular FormulaC11H17ClO3Si
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name[3-(2-chloroethyl)phenyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)c1cccc(CCCl)c1
InChIInChI=1S/C11H17ClO3Si/c1-13-16(14-2,15-3)11-6-4-5-10(9-11)7-8-12/h4-6,9H,7-8H2,1-3H3
InChIKeyGYKRDYWISYATGD-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(chloromethyl)phenyl]-triethoxysilane
CID 68630092
trichloro(phenyl)silane;trimethoxy(phenyl)silane
CID 160808399
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
phenyl-(3-trimethoxysilylphenyl)iodanium
CID 88934245
phenylmethoxysilane;trimethoxy(phenyl)silane
CID 173314465
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
(3-triethoxysilylphenyl)methanamine
CID 154113135
trichloro-(4-trimethoxysilylphenyl)silane
CID 59207169
trichloro-[3-(chloromethyl)phenyl]silane
CID 101022563
4-[3-(2-chloroethyl)phenoxy]aniline
CID 116996649
6-(2-chloroethyl)-2,3-dimethoxynaphthalene
CID 20541850

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroethyl)phenyl]-trimethoxysilane?
The IUPAC name of [3-(2-chloroethyl)phenyl]-trimethoxysilane (CID 66954369) is [3-(2-chloroethyl)phenyl]-trimethoxysilane.
What is the SMILES notation for [3-(2-chloroethyl)phenyl]-trimethoxysilane?
The canonical SMILES for [3-(2-chloroethyl)phenyl]-trimethoxysilane is CO[Si](OC)(OC)c1cccc(CCCl)c1.
What is the InChIKey of [3-(2-chloroethyl)phenyl]-trimethoxysilane?
The InChIKey is GYKRDYWISYATGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO3Si/c1-13-16(14-2,15-3)11-6-4-5-10(9-11)7-8-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of [3-(2-chloroethyl)phenyl]-trimethoxysilane?
[3-(2-chloroethyl)phenyl]-trimethoxysilane has a molecular weight of 260.79 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroethyl)phenyl]-trimethoxysilane is sourced from PubChem (CID 66954369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).