(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

C11H22O2Si — CID 6034727

IUPAC(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h8H,1-7H3/b10-8+
InChIKeyZRVOCNOYAJIAAP-CSKARUKUSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds3

About (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (PubChem CID 6034727) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
PubChem CID6034727
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C(\C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h8H,1-7H3/b10-8+
InChIKeyZRVOCNOYAJIAAP-CSKARUKUSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-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 (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The IUPAC name of (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (CID 6034727) is (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.
What is the SMILES notation for (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The canonical SMILES for (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is CC(=O)/C=C(\C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The InChIKey is ZRVOCNOYAJIAAP-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h8H,1-7H3/b10-8+.
What are the key properties of (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one has a molecular weight of 214.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is sourced from PubChem (CID 6034727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).