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

C11H22O2Si — CID 5373529

IUPAC(Z)-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-NTMALXAHSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds3

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

(Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (PubChem CID 5373529) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
PubChem CID5373529
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(Z)-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-NTMALXAHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (CID 5373529) is (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The canonical SMILES for (Z)-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 (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The InChIKey is ZRVOCNOYAJIAAP-NTMALXAHSA-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 (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
(Z)-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 (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is sourced from PubChem (CID 5373529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).