disilanylsilyl 2,3-dimethylbut-2-enoate

C6H16O2Si3 — CID 175301912

IUPACdisilanylsilyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)O[SiH2][SiH2][SiH3]
InChIInChI=1S/C6H16O2Si3/c1-4(2)5(3)6(7)8-10-11-9/h10-11H2,1-3,9H3
InChIKeyZKDMJWFMMLNDFN-UHFFFAOYSA-N
MW204.45 g/mol
LogP-1.67
Rot. Bonds3

About disilanylsilyl 2,3-dimethylbut-2-enoate

disilanylsilyl 2,3-dimethylbut-2-enoate (PubChem CID 175301912) has the molecular formula C6H16O2Si3 and a molecular weight of 204.45 g/mol. Its IUPAC name is disilanylsilyl 2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Namedisilanylsilyl 2,3-dimethylbut-2-enoate
PubChem CID175301912
Molecular FormulaC6H16O2Si3
Molecular Weight204.45 g/mol
Exact Mass204.05
IUPAC Namedisilanylsilyl 2,3-dimethylbut-2-enoate
SMILESCC(C)=C(C)C(=O)O[SiH2][SiH2][SiH3]
InChIInChI=1S/C6H16O2Si3/c1-4(2)5(3)6(7)8-10-11-9/h10-11H2,1-3,9H3
InChIKeyZKDMJWFMMLNDFN-UHFFFAOYSA-N
XLogP-1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.45
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze disilanylsilyl 2,3-dimethylbut-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disilanylsilyl 2,3-dimethylbut-2-enoate?
The IUPAC name of disilanylsilyl 2,3-dimethylbut-2-enoate (CID 175301912) is disilanylsilyl 2,3-dimethylbut-2-enoate.
What is the SMILES notation for disilanylsilyl 2,3-dimethylbut-2-enoate?
The canonical SMILES for disilanylsilyl 2,3-dimethylbut-2-enoate is CC(C)=C(C)C(=O)O[SiH2][SiH2][SiH3].
What is the InChIKey of disilanylsilyl 2,3-dimethylbut-2-enoate?
The InChIKey is ZKDMJWFMMLNDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2Si3/c1-4(2)5(3)6(7)8-10-11-9/h10-11H2,1-3,9H3.
What are the key properties of disilanylsilyl 2,3-dimethylbut-2-enoate?
disilanylsilyl 2,3-dimethylbut-2-enoate has a molecular weight of 204.45 g/mol, XLogP of -1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disilanylsilyl 2,3-dimethylbut-2-enoate is sourced from PubChem (CID 175301912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).