acetyloxysilyl acetate;but-1-enylbenzene

C14H20O4Si — CID 174652412

IUPACacetyloxysilyl acetate;but-1-enylbenzene
SMILESCC(=O)O[SiH2]OC(C)=O.CCC=Cc1ccccc1
InChIInChI=1S/C10H12.C4H8O4Si/c1-2-3-7-10-8-5-4-6-9-10;1-3(5)7-9-8-4(2)6/h3-9H,2H2,1H3;9H2,1-2H3
InChIKeyJNOQNNAXQXXSJD-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.22
Rot. Bonds4

About acetyloxysilyl acetate;but-1-enylbenzene

acetyloxysilyl acetate;but-1-enylbenzene (PubChem CID 174652412) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is acetyloxysilyl acetate;but-1-enylbenzene.

Molecular Properties

Compound Nameacetyloxysilyl acetate;but-1-enylbenzene
PubChem CID174652412
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Nameacetyloxysilyl acetate;but-1-enylbenzene
SMILESCC(=O)O[SiH2]OC(C)=O.CCC=Cc1ccccc1
InChIInChI=1S/C10H12.C4H8O4Si/c1-2-3-7-10-8-5-4-6-9-10;1-3(5)7-9-8-4(2)6/h3-9H,2H2,1H3;9H2,1-2H3
InChIKeyJNOQNNAXQXXSJD-UHFFFAOYSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze acetyloxysilyl acetate;but-1-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;but-1-enylbenzene
CID 157481332
but-1-enylbenzene;phenoxybenzene
CID 175609674
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
ethyl acetate;stilbene
CID 159556390
phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
methyl 4-but-1-enylbenzoate
CID 69135322
acetic acid;stilbene
CID 172803728
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527

Frequently Asked Questions

What is the IUPAC name of acetyloxysilyl acetate;but-1-enylbenzene?
The IUPAC name of acetyloxysilyl acetate;but-1-enylbenzene (CID 174652412) is acetyloxysilyl acetate;but-1-enylbenzene.
What is the SMILES notation for acetyloxysilyl acetate;but-1-enylbenzene?
The canonical SMILES for acetyloxysilyl acetate;but-1-enylbenzene is CC(=O)O[SiH2]OC(C)=O.CCC=Cc1ccccc1.
What is the InChIKey of acetyloxysilyl acetate;but-1-enylbenzene?
The InChIKey is JNOQNNAXQXXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C4H8O4Si/c1-2-3-7-10-8-5-4-6-9-10;1-3(5)7-9-8-4(2)6/h3-9H,2H2,1H3;9H2,1-2H3.
What are the key properties of acetyloxysilyl acetate;but-1-enylbenzene?
acetyloxysilyl acetate;but-1-enylbenzene has a molecular weight of 280.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxysilyl acetate;but-1-enylbenzene is sourced from PubChem (CID 174652412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).