7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione

C13H24O4Si — CID 87773639

IUPAC7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione
SMILESC=C(C)C(=O)C(=O)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H24O4Si/c1-6-16-18(5,17-7-2)10-8-9-12(14)13(15)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyCVHOYLJLZSPYDO-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.63
Rot. Bonds10

About 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione

7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione (PubChem CID 87773639) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione.

Molecular Properties

Compound Name7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione
PubChem CID87773639
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione
SMILESC=C(C)C(=O)C(=O)CCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H24O4Si/c1-6-16-18(5,17-7-2)10-8-9-12(14)13(15)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyCVHOYLJLZSPYDO-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione 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 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione?
The IUPAC name of 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione (CID 87773639) is 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione.
What is the SMILES notation for 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione?
The canonical SMILES for 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione is C=C(C)C(=O)C(=O)CCC[Si](C)(OCC)OCC.
What is the InChIKey of 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione?
The InChIKey is CVHOYLJLZSPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-6-16-18(5,17-7-2)10-8-9-12(14)13(15)11(3)4/h3,6-10H2,1-2,4-5H3.
What are the key properties of 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione?
7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione has a molecular weight of 272.42 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[diethoxy(methyl)silyl]-2-methylhept-1-ene-3,4-dione is sourced from PubChem (CID 87773639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).