chloro-(3-chlorobutyl)-ethoxy-methylsilane

C7H16Cl2OSi — CID 23105416

IUPACchloro-(3-chlorobutyl)-ethoxy-methylsilane
SMILESCCO[Si](C)(Cl)CCC(C)Cl
InChIInChI=1S/C7H16Cl2OSi/c1-4-10-11(3,9)6-5-7(2)8/h7H,4-6H2,1-3H3
InChIKeyAKMVEUOYXHBZGX-UHFFFAOYSA-N
MW215.20 g/mol
LogP3.35
Rot. Bonds5

About chloro-(3-chlorobutyl)-ethoxy-methylsilane

chloro-(3-chlorobutyl)-ethoxy-methylsilane (PubChem CID 23105416) has the molecular formula C7H16Cl2OSi and a molecular weight of 215.20 g/mol. Its IUPAC name is chloro-(3-chlorobutyl)-ethoxy-methylsilane.

Molecular Properties

Compound Namechloro-(3-chlorobutyl)-ethoxy-methylsilane
PubChem CID23105416
Molecular FormulaC7H16Cl2OSi
Molecular Weight215.20 g/mol
Exact Mass214.03
IUPAC Namechloro-(3-chlorobutyl)-ethoxy-methylsilane
SMILESCCO[Si](C)(Cl)CCC(C)Cl
InChIInChI=1S/C7H16Cl2OSi/c1-4-10-11(3,9)6-5-7(2)8/h7H,4-6H2,1-3H3
InChIKeyAKMVEUOYXHBZGX-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 53.35
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

chloro-ethoxy-methyl-propylsilane
CID 141340520
chloro-(3-chlorobutyl)-dimethylsilane
CID 22227198
3-chlorobutyl-methoxy-dimethylsilane
CID 87149503
1-chloroethyl-diethoxy-ethylsilane
CID 54412794
chloro-(3-chloropentyl)-dimethylsilane
CID 23146461
chloro-ethoxy-bis(2-methylpropyl)silane
CID 88926142
chloro-[diethoxy(methyl)silyl]oxy-dimethylsilane
CID 87588224
chloro-(2-chloropropyl)-dimethylsilane
CID 11355737
ethoxy-dimethyl-(7-methyloctyl)silane
CID 139725717
4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
CID 141486551
5-chloro-1-ethoxyhexane
CID 64515389
2-bromoethyl-(1-chloroethoxy)-diethoxysilane
CID 141486550

Frequently Asked Questions

What is the IUPAC name of chloro-(3-chlorobutyl)-ethoxy-methylsilane?
The IUPAC name of chloro-(3-chlorobutyl)-ethoxy-methylsilane (CID 23105416) is chloro-(3-chlorobutyl)-ethoxy-methylsilane.
What is the SMILES notation for chloro-(3-chlorobutyl)-ethoxy-methylsilane?
The canonical SMILES for chloro-(3-chlorobutyl)-ethoxy-methylsilane is CCO[Si](C)(Cl)CCC(C)Cl.
What is the InChIKey of chloro-(3-chlorobutyl)-ethoxy-methylsilane?
The InChIKey is AKMVEUOYXHBZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl2OSi/c1-4-10-11(3,9)6-5-7(2)8/h7H,4-6H2,1-3H3.
What are the key properties of chloro-(3-chlorobutyl)-ethoxy-methylsilane?
chloro-(3-chlorobutyl)-ethoxy-methylsilane has a molecular weight of 215.20 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-chlorobutyl)-ethoxy-methylsilane is sourced from PubChem (CID 23105416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).