2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate

C21H44O6Si3 — CID 160604553

IUPAC2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate
SMILESC=C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC)C(C)=O
InChIInChI=1S/C21H44O6Si3/c1-10-11-16-28(4,5)26-30(8,9)27-29(6,7)17-12-13-24-14-15-25-21(23)18-19(2)20(3)22/h2,10-18H2,1,3-9H3
InChIKeyRSPTUKWEQQRQNK-UHFFFAOYSA-N
MW476.84 g/mol
LogP5.42
Rot. Bonds17

About 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate

2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate (PubChem CID 160604553) has the molecular formula C21H44O6Si3 and a molecular weight of 476.84 g/mol. Its IUPAC name is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate.

Molecular Properties

Compound Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate
PubChem CID160604553
Molecular FormulaC21H44O6Si3
Molecular Weight476.84 g/mol
Exact Mass476.24
IUPAC Name2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate
SMILESC=C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC)C(C)=O
InChIInChI=1S/C21H44O6Si3/c1-10-11-16-28(4,5)26-30(8,9)27-29(6,7)17-12-13-24-14-15-25-21(23)18-19(2)20(3)22/h2,10-18H2,1,3-9H3
InChIKeyRSPTUKWEQQRQNK-UHFFFAOYSA-N
XLogP5.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate 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 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate?
The IUPAC name of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate (CID 160604553) is 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate.
What is the SMILES notation for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate?
The canonical SMILES for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate is C=C(CC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC)C(C)=O.
What is the InChIKey of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate?
The InChIKey is RSPTUKWEQQRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O6Si3/c1-10-11-16-28(4,5)26-30(8,9)27-29(6,7)17-12-13-24-14-15-25-21(23)18-19(2)20(3)22/h2,10-18H2,1,3-9H3.
What are the key properties of 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate?
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate has a molecular weight of 476.84 g/mol, XLogP of 5.42, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 3-methylidene-4-oxopentanoate is sourced from PubChem (CID 160604553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).