6-trimethoxysilylhexan-3-one

C9H20O4Si — CID 154355591

IUPAC6-trimethoxysilylhexan-3-one
SMILESCCC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5-8H2,1-4H3
InChIKeyRLRXQMVHGOKAFK-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.62
Rot. Bonds8

About 6-trimethoxysilylhexan-3-one

6-trimethoxysilylhexan-3-one (PubChem CID 154355591) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 6-trimethoxysilylhexan-3-one.

Molecular Properties

Compound Name6-trimethoxysilylhexan-3-one
PubChem CID154355591
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name6-trimethoxysilylhexan-3-one
SMILESCCC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5-8H2,1-4H3
InChIKeyRLRXQMVHGOKAFK-UHFFFAOYSA-N
XLogP1.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-trimethoxysilylhexan-3-one 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

heptadecane-3,7,11,15-tetrone
CID 160942813
8-[diethoxy(methoxy)silyl]octan-4-one
CID 162505528
10-trimethoxysilyldecanethioic S-acid
CID 87672120
propyl 4-trimethoxysilylbutanoate
CID 174313237
4-trimethoxysilylbutanehydrazide
CID 12002198
methane;undecane-3,9-dione
CID 158816586
ethyl 2-methylidene-5-trimethoxysilylpentanoate
CID 25168029
2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
S-(3-trimethoxysilylpropyl) butanethioate
CID 86045035
14-aminotetradecan-3-one
CID 178176766

Frequently Asked Questions

What is the IUPAC name of 6-trimethoxysilylhexan-3-one?
The IUPAC name of 6-trimethoxysilylhexan-3-one (CID 154355591) is 6-trimethoxysilylhexan-3-one.
What is the SMILES notation for 6-trimethoxysilylhexan-3-one?
The canonical SMILES for 6-trimethoxysilylhexan-3-one is CCC(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of 6-trimethoxysilylhexan-3-one?
The InChIKey is RLRXQMVHGOKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-9(10)7-6-8-14(11-2,12-3)13-4/h5-8H2,1-4H3.
What are the key properties of 6-trimethoxysilylhexan-3-one?
6-trimethoxysilylhexan-3-one has a molecular weight of 220.34 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trimethoxysilylhexan-3-one is sourced from PubChem (CID 154355591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).