3-chloropropyl acetate;diethoxysilane

C9H21ClO4Si — CID 159233162

IUPAC3-chloropropyl acetate;diethoxysilane
SMILESCC(=O)OCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C5H9ClO2.C4H12O2Si/c1-5(7)8-4-2-3-6;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3
InChIKeyKTDNVMJYYADFTJ-UHFFFAOYSA-N
MW256.80 g/mol
LogP1.24
Rot. Bonds7

About 3-chloropropyl acetate;diethoxysilane

3-chloropropyl acetate;diethoxysilane (PubChem CID 159233162) has the molecular formula C9H21ClO4Si and a molecular weight of 256.80 g/mol. Its IUPAC name is 3-chloropropyl acetate;diethoxysilane.

Molecular Properties

Compound Name3-chloropropyl acetate;diethoxysilane
PubChem CID159233162
Molecular FormulaC9H21ClO4Si
Molecular Weight256.80 g/mol
Exact Mass256.09
IUPAC Name3-chloropropyl acetate;diethoxysilane
SMILESCC(=O)OCCCCl.CCO[SiH2]OCC
InChIInChI=1S/C5H9ClO2.C4H12O2Si/c1-5(7)8-4-2-3-6;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3
InChIKeyKTDNVMJYYADFTJ-UHFFFAOYSA-N
XLogP1.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloropropyl acetate;phosphane
CID 88684700
8-chlorooctyl acetate
CID 527879
3-chloropropyl 3-oxobutanoate
CID 10511540
11-acetyloxyundecyl acetate
CID 87784419
3-ethoxypropyl acetate
CID 14847874
3-chloropropyl 2-oxopropanoate
CID 55302945
12-chlorododec-7-ynyl acetate
CID 134994836
CID 159701402
CID 159701402
CID 159328585
CID 159328585
CID 87429945
CID 87429945
6-ethoxyhexyl acetate
CID 123617931
nonadecakis(dichloromethane);ethyl acetate
CID 172996515

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl acetate;diethoxysilane?
The IUPAC name of 3-chloropropyl acetate;diethoxysilane (CID 159233162) is 3-chloropropyl acetate;diethoxysilane.
What is the SMILES notation for 3-chloropropyl acetate;diethoxysilane?
The canonical SMILES for 3-chloropropyl acetate;diethoxysilane is CC(=O)OCCCCl.CCO[SiH2]OCC.
What is the InChIKey of 3-chloropropyl acetate;diethoxysilane?
The InChIKey is KTDNVMJYYADFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO2.C4H12O2Si/c1-5(7)8-4-2-3-6;1-3-5-7-6-4-2/h2-4H2,1H3;3-4,7H2,1-2H3.
What are the key properties of 3-chloropropyl acetate;diethoxysilane?
3-chloropropyl acetate;diethoxysilane has a molecular weight of 256.80 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl acetate;diethoxysilane is sourced from PubChem (CID 159233162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).