1-silylpropyl acetate

C5H12O2Si — CID 173180610

IUPAC1-silylpropyl acetate
SMILESCCC([SiH3])OC(C)=O
InChIInChI=1S/C5H12O2Si/c1-3-5(8)7-4(2)6/h5H,3H2,1-2,8H3
InChIKeyBPIZRKLNPYRBAM-UHFFFAOYSA-N
MW132.23 g/mol
LogP-0.35
Rot. Bonds2

About 1-silylpropyl acetate

1-silylpropyl acetate (PubChem CID 173180610) has the molecular formula C5H12O2Si and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-silylpropyl acetate.

Molecular Properties

Compound Name1-silylpropyl acetate
PubChem CID173180610
Molecular FormulaC5H12O2Si
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-silylpropyl acetate
SMILESCCC([SiH3])OC(C)=O
InChIInChI=1S/C5H12O2Si/c1-3-5(8)7-4(2)6/h5H,3H2,1-2,8H3
InChIKeyBPIZRKLNPYRBAM-UHFFFAOYSA-N
XLogP-0.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
1-hydroxypropyl acetate
CID 21275092
[(3R)-pent-1-en-3-yl] acetate
CID 92859949
1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703
1,1,2-trichloropent-1-en-3-yl acetate
CID 88729244
propane;propan-2-yl acetate
CID 23325886
2-acetyloxybutanoic acid
CID 13327294
[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
1-acetyloxypropyl propanoate
CID 141272286
1-aminobutyl acetate
CID 22643639
1-chlorobutan-2-yl acetate
CID 12575174
1-silylpropyl 2,3,3-trimethoxyprop-2-enoate
CID 173263424

Frequently Asked Questions

What is the IUPAC name of 1-silylpropyl acetate?
The IUPAC name of 1-silylpropyl acetate (CID 173180610) is 1-silylpropyl acetate.
What is the SMILES notation for 1-silylpropyl acetate?
The canonical SMILES for 1-silylpropyl acetate is CCC([SiH3])OC(C)=O.
What is the InChIKey of 1-silylpropyl acetate?
The InChIKey is BPIZRKLNPYRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-3-5(8)7-4(2)6/h5H,3H2,1-2,8H3.
What are the key properties of 1-silylpropyl acetate?
1-silylpropyl acetate has a molecular weight of 132.23 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylpropyl acetate is sourced from PubChem (CID 173180610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).