6-triethoxysilylhept-1-ene-3,4-dione

C13H24O5Si — CID 141307920

IUPAC6-triethoxysilylhept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-6-12(14)13(15)10-11(5)19(16-7-2,17-8-3)18-9-4/h6,11H,1,7-10H2,2-5H3
InChIKeyGRDUJDPRLFWLDP-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.14
Rot. Bonds11

About 6-triethoxysilylhept-1-ene-3,4-dione

6-triethoxysilylhept-1-ene-3,4-dione (PubChem CID 141307920) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-triethoxysilylhept-1-ene-3,4-dione.

Molecular Properties

Compound Name6-triethoxysilylhept-1-ene-3,4-dione
PubChem CID141307920
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name6-triethoxysilylhept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-6-12(14)13(15)10-11(5)19(16-7-2,17-8-3)18-9-4/h6,11H,1,7-10H2,2-5H3
InChIKeyGRDUJDPRLFWLDP-UHFFFAOYSA-N
XLogP2.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-triethoxysilylhept-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

Related Compounds

Methacrylpropyltriethoxysilane
CID 18364579
3-Acryloylpropyl trimethoxysilane
CID 22323146
7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
CID 11128489
4-Trimethoxysilylhex-1-en-3-one
CID 17779562
6-[Diethoxy(methyl)silyl]hex-1-en-3-one
CID 17987009
6-[Dimethoxy(methyl)silyl]hex-1-en-3-one
CID 17987010
6-Triethoxysilylhex-1-en-3-one
CID 22323143
2-Methyl-4-triethoxysilylhex-1-en-3-one
CID 22992605
1-[Diethoxy(methyl)silyl]-5-methylhex-1-ene-3,4-dione
CID 54031804
6-[Ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
CID 56994463
2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione
CID 57021530
6-[Dimethoxy(methyl)silyl]hex-1-ene-3,4-dione
CID 57099022

Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilylhept-1-ene-3,4-dione?
The IUPAC name of 6-triethoxysilylhept-1-ene-3,4-dione (CID 141307920) is 6-triethoxysilylhept-1-ene-3,4-dione.
What is the SMILES notation for 6-triethoxysilylhept-1-ene-3,4-dione?
The canonical SMILES for 6-triethoxysilylhept-1-ene-3,4-dione is C=CC(=O)C(=O)CC(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 6-triethoxysilylhept-1-ene-3,4-dione?
The InChIKey is GRDUJDPRLFWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-6-12(14)13(15)10-11(5)19(16-7-2,17-8-3)18-9-4/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 6-triethoxysilylhept-1-ene-3,4-dione?
6-triethoxysilylhept-1-ene-3,4-dione has a molecular weight of 288.42 g/mol, XLogP of 2.14, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilylhept-1-ene-3,4-dione is sourced from PubChem (CID 141307920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).