1-dichlorosilylethyl acetate

C4H8Cl2O2Si — CID 173076621

IUPAC1-dichlorosilylethyl acetate
SMILESCC(=O)OC(C)[SiH](Cl)Cl
InChIInChI=1S/C4H8Cl2O2Si/c1-3(7)8-4(2)9(5)6/h4,9H,1-2H3
InChIKeyJYSDUVFVBZMUSP-UHFFFAOYSA-N
MW187.10 g/mol
LogP1.18
Rot. Bonds2

About 1-dichlorosilylethyl acetate

1-dichlorosilylethyl acetate (PubChem CID 173076621) has the molecular formula C4H8Cl2O2Si and a molecular weight of 187.10 g/mol. Its IUPAC name is 1-dichlorosilylethyl acetate.

Molecular Properties

Compound Name1-dichlorosilylethyl acetate
PubChem CID173076621
Molecular FormulaC4H8Cl2O2Si
Molecular Weight187.10 g/mol
Exact Mass185.97
IUPAC Name1-dichlorosilylethyl acetate
SMILESCC(=O)OC(C)[SiH](Cl)Cl
InChIInChI=1S/C4H8Cl2O2Si/c1-3(7)8-4(2)9(5)6/h4,9H,1-2H3
InChIKeyJYSDUVFVBZMUSP-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl acetate;hydrochloride
CID 87336432
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
2-acetyloxypropanoyl(trihydroxy)phosphanium
CID 57269878
(1-chloro-1-hydroxypropan-2-yl) acetate
CID 87865269
(1-acetyloxy-2-ethylpent-2-enyl) acetate
CID 123713583
2-chloropropane;methyl acetate
CID 157293612
(2S)-2-acetyloxypropanoic acid
CID 6326324
propane;propan-2-yl acetate
CID 23325886
[(2S,3S,4S,5R)-3,4,5-triacetyloxyhexan-2-yl] acetate
CID 92643864
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
1,1,1-trihydroxypropan-2-yl acetate
CID 141411678
CID 87143951
CID 87143951

Frequently Asked Questions

What is the IUPAC name of 1-dichlorosilylethyl acetate?
The IUPAC name of 1-dichlorosilylethyl acetate (CID 173076621) is 1-dichlorosilylethyl acetate.
What is the SMILES notation for 1-dichlorosilylethyl acetate?
The canonical SMILES for 1-dichlorosilylethyl acetate is CC(=O)OC(C)[SiH](Cl)Cl.
What is the InChIKey of 1-dichlorosilylethyl acetate?
The InChIKey is JYSDUVFVBZMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2Si/c1-3(7)8-4(2)9(5)6/h4,9H,1-2H3.
What are the key properties of 1-dichlorosilylethyl acetate?
1-dichlorosilylethyl acetate has a molecular weight of 187.10 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorosilylethyl acetate is sourced from PubChem (CID 173076621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).