(4,4-dichloro-4-silylbutyl) acetate

C6H12Cl2O2Si — CID 173246962

IUPAC(4,4-dichloro-4-silylbutyl) acetate
SMILESCC(=O)OCCCC([SiH3])(Cl)Cl
InChIInChI=1S/C6H12Cl2O2Si/c1-5(9)10-4-2-3-6(7,8)11/h2-4H2,1,11H3
InChIKeyBSYACDJYDZHQCY-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.83
Rot. Bonds4

About (4,4-dichloro-4-silylbutyl) acetate

(4,4-dichloro-4-silylbutyl) acetate (PubChem CID 173246962) has the molecular formula C6H12Cl2O2Si and a molecular weight of 215.15 g/mol. Its IUPAC name is (4,4-dichloro-4-silylbutyl) acetate.

Molecular Properties

Compound Name(4,4-dichloro-4-silylbutyl) acetate
PubChem CID173246962
Molecular FormulaC6H12Cl2O2Si
Molecular Weight215.15 g/mol
Exact Mass214.00
IUPAC Name(4,4-dichloro-4-silylbutyl) acetate
SMILESCC(=O)OCCCC([SiH3])(Cl)Cl
InChIInChI=1S/C6H12Cl2O2Si/c1-5(9)10-4-2-3-6(7,8)11/h2-4H2,1,11H3
InChIKeyBSYACDJYDZHQCY-UHFFFAOYSA-N
XLogP0.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3,3,3-trichloropropyl acetate
CID 14970937
butyl acetate;1,1,1,2,2,2-hexachloroethane
CID 175016872
4,4-diethylhexyl acetate
CID 150852527
(4-hydroxy-4,5,5-trimethoxy-5-silylpentyl) acetate
CID 175195246
11-acetyloxyundecyl acetate
CID 87784419
4,4-dimethylhexyl acetate
CID 90020632
(4-bromo-4,4-difluorobutyl) acetate
CID 19915379
3-chloropropyl acetate;phosphane
CID 88684700
(8-acetyloxy-4,4,6,6-tetrafluorooctyl) acetate
CID 118257803
(4,4-dimethyl-7-oxooctyl) acetate
CID 11127631
8-chlorooctyl acetate
CID 527879
2,2-bis(4-acetyloxybutyl)propanedioic acid
CID 122217541

Frequently Asked Questions

What is the IUPAC name of (4,4-dichloro-4-silylbutyl) acetate?
The IUPAC name of (4,4-dichloro-4-silylbutyl) acetate (CID 173246962) is (4,4-dichloro-4-silylbutyl) acetate.
What is the SMILES notation for (4,4-dichloro-4-silylbutyl) acetate?
The canonical SMILES for (4,4-dichloro-4-silylbutyl) acetate is CC(=O)OCCCC([SiH3])(Cl)Cl.
What is the InChIKey of (4,4-dichloro-4-silylbutyl) acetate?
The InChIKey is BSYACDJYDZHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2Si/c1-5(9)10-4-2-3-6(7,8)11/h2-4H2,1,11H3.
What are the key properties of (4,4-dichloro-4-silylbutyl) acetate?
(4,4-dichloro-4-silylbutyl) acetate has a molecular weight of 215.15 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dichloro-4-silylbutyl) acetate is sourced from PubChem (CID 173246962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).