(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

C11H22O2Si — CID 10987642

IUPAC(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3/b8-7+
InChIKeyNXTUOQZEQYAHLT-BQYQJAHWSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

About (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one

(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (PubChem CID 10987642) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
PubChem CID10987642
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one
SMILESCC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3/b8-7+
InChIKeyNXTUOQZEQYAHLT-BQYQJAHWSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The IUPAC name of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one (CID 10987642) is (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one.
What is the SMILES notation for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The canonical SMILES for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is CC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
The InChIKey is NXTUOQZEQYAHLT-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3/b8-7+.
What are the key properties of (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one?
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one has a molecular weight of 214.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-2-one is sourced from PubChem (CID 10987642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).