[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane

C12H18Cl2O3Si — CID 67083999

IUPAC[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)C(Cl)Cc1ccc(CCl)cc1
InChIInChI=1S/C12H18Cl2O3Si/c1-15-18(16-2,17-3)12(14)8-10-4-6-11(9-13)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyDZUHHLGWXKSKII-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.99
Rot. Bonds7

About [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane

[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane (PubChem CID 67083999) has the molecular formula C12H18Cl2O3Si and a molecular weight of 309.27 g/mol. Its IUPAC name is [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane.

Molecular Properties

Compound Name[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane
PubChem CID67083999
Molecular FormulaC12H18Cl2O3Si
Molecular Weight309.27 g/mol
Exact Mass308.04
IUPAC Name[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane
SMILESCO[Si](OC)(OC)C(Cl)Cc1ccc(CCl)cc1
InChIInChI=1S/C12H18Cl2O3Si/c1-15-18(16-2,17-3)12(14)8-10-4-6-11(9-13)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyDZUHHLGWXKSKII-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.99
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

[4-(chloromethyl)phenyl]methylphosphane
CID 134463930
1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-[[4-(chloromethyl)phenyl]-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilane;trichloro-[4-(chloromethyl)phenyl]silane
CID 159128159
[4-(chloromethyl)phenyl]methyl-tris(dimethylamino)phosphanium chloride
CID 3056468
1-(chloromethyl)-4-pentan-3-yloxybenzene
CID 54051515
chloromethylbenzene;ruthenium
CID 161305198
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
5-(chloromethyl)-2-ethoxypyridine
CID 10535190
1-[4-(chloromethyl)phenoxy]ethyl hypochlorite
CID 141305174

Frequently Asked Questions

What is the IUPAC name of [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane?
The IUPAC name of [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane (CID 67083999) is [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane.
What is the SMILES notation for [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane?
The canonical SMILES for [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane is CO[Si](OC)(OC)C(Cl)Cc1ccc(CCl)cc1.
What is the InChIKey of [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane?
The InChIKey is DZUHHLGWXKSKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2O3Si/c1-15-18(16-2,17-3)12(14)8-10-4-6-11(9-13)7-5-10/h4-7,12H,8-9H2,1-3H3.
What are the key properties of [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane?
[1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane has a molecular weight of 309.27 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-2-[4-(chloromethyl)phenyl]ethyl]-trimethoxysilane is sourced from PubChem (CID 67083999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).