7-trimethoxysilylhept-2-en-4-one

C10H20O4Si — CID 56978100

IUPAC7-trimethoxysilylhept-2-en-4-one
SMILESCC=CC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3
InChIKeyNWRRCUGYRRRTES-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.79
Rot. Bonds8

About 7-trimethoxysilylhept-2-en-4-one

7-trimethoxysilylhept-2-en-4-one (PubChem CID 56978100) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 7-trimethoxysilylhept-2-en-4-one.

Molecular Properties

Compound Name7-trimethoxysilylhept-2-en-4-one
PubChem CID56978100
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name7-trimethoxysilylhept-2-en-4-one
SMILESCC=CC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3
InChIKeyNWRRCUGYRRRTES-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-trimethoxysilylhept-2-en-4-one 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-trimethoxysilylhept-2-en-4-one?
The IUPAC name of 7-trimethoxysilylhept-2-en-4-one (CID 56978100) is 7-trimethoxysilylhept-2-en-4-one.
What is the SMILES notation for 7-trimethoxysilylhept-2-en-4-one?
The canonical SMILES for 7-trimethoxysilylhept-2-en-4-one is CC=CC(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 7-trimethoxysilylhept-2-en-4-one?
The InChIKey is NWRRCUGYRRRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-7-10(11)8-6-9-15(12-2,13-3)14-4/h5,7H,6,8-9H2,1-4H3.
What are the key properties of 7-trimethoxysilylhept-2-en-4-one?
7-trimethoxysilylhept-2-en-4-one has a molecular weight of 232.35 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethoxysilylhept-2-en-4-one is sourced from PubChem (CID 56978100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).