4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one

C11H22O2Si — CID 553195

IUPAC4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3
InChIKeyHXDUOOPPZPBNID-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one

4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one (PubChem CID 553195) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
PubChem CID553195
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
SMILESC=CC(=O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3
InChIKeyHXDUOOPPZPBNID-UHFFFAOYSA-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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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(3S)-1,1-dibromo-3-[tert-butyl(dimethyl)silyl]oxybutan-2-one
CID 10970420
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
(2S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4-methyloctan-3-one
CID 102064835
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
3-[tert-butyl(dimethyl)silyl]oxy-2-diazobutanoic acid
CID 57177157

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one (CID 553195) is 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one is C=CC(=O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
The InChIKey is HXDUOOPPZPBNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h8-9H,1H2,2-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one?
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-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 4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one is sourced from PubChem (CID 553195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).