6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one

C7H12Cl2O2Si — CID 87991478

IUPAC6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one
SMILESC=CC(=O)C(O)CC[Si](C)(Cl)Cl
InChIInChI=1S/C7H12Cl2O2Si/c1-3-6(10)7(11)4-5-12(2,8)9/h3,7,11H,1,4-5H2,2H3
InChIKeyWMVOPQQLISXNBO-UHFFFAOYSA-N
MW227.16 g/mol
LogP2.04
Rot. Bonds5

About 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one

6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one (PubChem CID 87991478) has the molecular formula C7H12Cl2O2Si and a molecular weight of 227.16 g/mol. Its IUPAC name is 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one.

Molecular Properties

Compound Name6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one
PubChem CID87991478
Molecular FormulaC7H12Cl2O2Si
Molecular Weight227.16 g/mol
Exact Mass226.00
IUPAC Name6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one
SMILESC=CC(=O)C(O)CC[Si](C)(Cl)Cl
InChIInChI=1S/C7H12Cl2O2Si/c1-3-6(10)7(11)4-5-12(2,8)9/h3,7,11H,1,4-5H2,2H3
InChIKeyWMVOPQQLISXNBO-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-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

4,7-dihydroxyoct-1-en-3-one
CID 174876046
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
4-hydroxy-6-triphenoxysilylhex-1-en-3-one
CID 66628356
4-hydroxy-6-(1-hydroxyethoxy)hex-1-en-3-one
CID 174578423
dichloro-methyl-[2-tris(ethenyl)silylethyl]silane
CID 573046
diethyl-(2-hydroxy-3-oxopent-4-enyl)-methylazanium
CID 88595815
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
4,5-dihydroxyocta-1,7-diene-3,6-dione
CID 88509439
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
4-hydroxy-5-pyridin-4-ylpent-1-en-3-one
CID 174254613
5-hydroxy-4-methylhex-1-en-3-one
CID 174399075
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
CID 168864206

Frequently Asked Questions

What is the IUPAC name of 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one?
The IUPAC name of 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one (CID 87991478) is 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one.
What is the SMILES notation for 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one?
The canonical SMILES for 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one is C=CC(=O)C(O)CC[Si](C)(Cl)Cl.
What is the InChIKey of 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one?
The InChIKey is WMVOPQQLISXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O2Si/c1-3-6(10)7(11)4-5-12(2,8)9/h3,7,11H,1,4-5H2,2H3.
What are the key properties of 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one?
6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one has a molecular weight of 227.16 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dichloro(methyl)silyl]-4-hydroxyhex-1-en-3-one is sourced from PubChem (CID 87991478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).