5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one

C13H25ClO3Si — CID 23514785

IUPAC5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one
SMILESCOC1CCCC(CC(=O)CCC[Si](C)(C)Cl)O1
InChIInChI=1S/C13H25ClO3Si/c1-16-13-8-4-7-12(17-13)10-11(15)6-5-9-18(2,3)14/h12-13H,4-10H2,1-3H3
InChIKeyHLRZWGVOHUHPOL-UHFFFAOYSA-N
MW292.88 g/mol
LogP3.71
Rot. Bonds7

About 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one

5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one (PubChem CID 23514785) has the molecular formula C13H25ClO3Si and a molecular weight of 292.88 g/mol. Its IUPAC name is 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one
PubChem CID23514785
Molecular FormulaC13H25ClO3Si
Molecular Weight292.88 g/mol
Exact Mass292.13
IUPAC Name5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one
SMILESCOC1CCCC(CC(=O)CCC[Si](C)(C)Cl)O1
InChIInChI=1S/C13H25ClO3Si/c1-16-13-8-4-7-12(17-13)10-11(15)6-5-9-18(2,3)14/h12-13H,4-10H2,1-3H3
InChIKeyHLRZWGVOHUHPOL-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.88
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-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 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one?
The IUPAC name of 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one (CID 23514785) is 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one.
What is the SMILES notation for 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one?
The canonical SMILES for 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one is COC1CCCC(CC(=O)CCC[Si](C)(C)Cl)O1.
What is the InChIKey of 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one?
The InChIKey is HLRZWGVOHUHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3Si/c1-16-13-8-4-7-12(17-13)10-11(15)6-5-9-18(2,3)14/h12-13H,4-10H2,1-3H3.
What are the key properties of 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one?
5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one has a molecular weight of 292.88 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(dimethyl)silyl]-1-(6-methoxyoxan-2-yl)pentan-2-one is sourced from PubChem (CID 23514785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).