5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one

C11H22O4Si — CID 150062976

IUPAC5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCO[Si](CCC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-9-16(13-4,14-5)15-8-7-11(12)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyDNRJSMOMQYKXDY-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.18
Rot. Bonds9

About 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one

5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one (PubChem CID 150062976) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
PubChem CID150062976
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCO[Si](CCC)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-9-16(13-4,14-5)15-8-7-11(12)10(2)3/h2,6-9H2,1,3-5H3
InChIKeyDNRJSMOMQYKXDY-UHFFFAOYSA-N
XLogP2.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.18
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 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-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

Frequently Asked Questions

What is the IUPAC name of 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one?
The IUPAC name of 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one (CID 150062976) is 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one?
The canonical SMILES for 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one is C=C(C)C(=O)CCO[Si](CCC)(OC)OC.
What is the InChIKey of 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one?
The InChIKey is DNRJSMOMQYKXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-9-16(13-4,14-5)15-8-7-11(12)10(2)3/h2,6-9H2,1,3-5H3.
What are the key properties of 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one?
5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one has a molecular weight of 246.38 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxy(propyl)silyl]oxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 150062976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).