3-chlorobutyl-methoxy-dimethylsilane

C7H17ClOSi — CID 87149503

IUPAC3-chlorobutyl-methoxy-dimethylsilane
SMILESCO[Si](C)(C)CCC(C)Cl
InChIInChI=1S/C7H17ClOSi/c1-7(8)5-6-10(3,4)9-2/h7H,5-6H2,1-4H3
InChIKeyXVVYROBQNNCXJR-UHFFFAOYSA-N
MW180.75 g/mol
LogP2.86
Rot. Bonds4

About 3-chlorobutyl-methoxy-dimethylsilane

3-chlorobutyl-methoxy-dimethylsilane (PubChem CID 87149503) has the molecular formula C7H17ClOSi and a molecular weight of 180.75 g/mol. Its IUPAC name is 3-chlorobutyl-methoxy-dimethylsilane.

Molecular Properties

Compound Name3-chlorobutyl-methoxy-dimethylsilane
PubChem CID87149503
Molecular FormulaC7H17ClOSi
Molecular Weight180.75 g/mol
Exact Mass180.07
IUPAC Name3-chlorobutyl-methoxy-dimethylsilane
SMILESCO[Si](C)(C)CCC(C)Cl
InChIInChI=1S/C7H17ClOSi/c1-7(8)5-6-10(3,4)9-2/h7H,5-6H2,1-4H3
InChIKeyXVVYROBQNNCXJR-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.75
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chlorobutyl-methoxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloro-(3-chlorobutyl)-dimethylsilane
CID 22227198
chloro-(3-chlorobutyl)-ethoxy-methylsilane
CID 23105416
5-[methoxy(dimethyl)silyl]pentane-1,3-diamine
CID 87772527
dimethoxy-[2-[methoxy(dimethyl)silyl]ethyl]-methylsilane
CID 59514896
chloromethyl-methoxy-dimethylsilane
CID 560623
methyl 6-chloroheptanoate
CID 11423919
1-[2-[methoxy(dimethyl)silyl]ethoxy]propan-2-ol
CID 161271830
3-[methoxy(dimethyl)silyl]propan-1-amine
CID 2733753
1-chloroethyl-methoxy-dimethylsilane
CID 174776144
2-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]ethanamine
CID 140737413
methoxy-dimethyl-nonylsilane
CID 58695494
hexadecyl-methoxy-dimethylsilane
CID 22228661

Frequently Asked Questions

What is the IUPAC name of 3-chlorobutyl-methoxy-dimethylsilane?
The IUPAC name of 3-chlorobutyl-methoxy-dimethylsilane (CID 87149503) is 3-chlorobutyl-methoxy-dimethylsilane.
What is the SMILES notation for 3-chlorobutyl-methoxy-dimethylsilane?
The canonical SMILES for 3-chlorobutyl-methoxy-dimethylsilane is CO[Si](C)(C)CCC(C)Cl.
What is the InChIKey of 3-chlorobutyl-methoxy-dimethylsilane?
The InChIKey is XVVYROBQNNCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClOSi/c1-7(8)5-6-10(3,4)9-2/h7H,5-6H2,1-4H3.
What are the key properties of 3-chlorobutyl-methoxy-dimethylsilane?
3-chlorobutyl-methoxy-dimethylsilane has a molecular weight of 180.75 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobutyl-methoxy-dimethylsilane is sourced from PubChem (CID 87149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).