3,4-dichlorobutyl(trimethoxy)silane

C7H16Cl2O3Si — CID 14669988

IUPAC3,4-dichlorobutyl(trimethoxy)silane
SMILESCO[Si](CCC(Cl)CCl)(OC)OC
InChIInChI=1S/C7H16Cl2O3Si/c1-10-13(11-2,12-3)5-4-7(9)6-8/h7H,4-6H2,1-3H3
InChIKeyVIAKHVKXBXRZKI-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.10
Rot. Bonds7

About 3,4-dichlorobutyl(trimethoxy)silane

3,4-dichlorobutyl(trimethoxy)silane (PubChem CID 14669988) has the molecular formula C7H16Cl2O3Si and a molecular weight of 247.19 g/mol. Its IUPAC name is 3,4-dichlorobutyl(trimethoxy)silane.

Molecular Properties

Compound Name3,4-dichlorobutyl(trimethoxy)silane
PubChem CID14669988
Molecular FormulaC7H16Cl2O3Si
Molecular Weight247.19 g/mol
Exact Mass246.02
IUPAC Name3,4-dichlorobutyl(trimethoxy)silane
SMILESCO[Si](CCC(Cl)CCl)(OC)OC
InChIInChI=1S/C7H16Cl2O3Si/c1-10-13(11-2,12-3)5-4-7(9)6-8/h7H,4-6H2,1-3H3
InChIKeyVIAKHVKXBXRZKI-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorobutyl(trimethoxy)silane?
The IUPAC name of 3,4-dichlorobutyl(trimethoxy)silane (CID 14669988) is 3,4-dichlorobutyl(trimethoxy)silane.
What is the SMILES notation for 3,4-dichlorobutyl(trimethoxy)silane?
The canonical SMILES for 3,4-dichlorobutyl(trimethoxy)silane is CO[Si](CCC(Cl)CCl)(OC)OC.
What is the InChIKey of 3,4-dichlorobutyl(trimethoxy)silane?
The InChIKey is VIAKHVKXBXRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2O3Si/c1-10-13(11-2,12-3)5-4-7(9)6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3,4-dichlorobutyl(trimethoxy)silane?
3,4-dichlorobutyl(trimethoxy)silane has a molecular weight of 247.19 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorobutyl(trimethoxy)silane is sourced from PubChem (CID 14669988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).