4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one

C10H20O2Si — CID 173343952

IUPAC4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
SMILESC=CC(=O)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8(11)9(10(2,3)4)12-13(5)6/h7,9,13H,1H2,2-6H3
InChIKeyJPTKVQWPBBHSRL-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.16
Rot. Bonds4

About 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one

4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one (PubChem CID 173343952) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one.

Molecular Properties

Compound Name4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
PubChem CID173343952
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
SMILESC=CC(=O)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8(11)9(10(2,3)4)12-13(5)6/h7,9,13H,1H2,2-6H3
InChIKeyJPTKVQWPBBHSRL-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.16
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

4-methoxy-5,5-dimethylhex-1-en-3-one
CID 116709713
3-dimethylsilyloxy-4,4-dimethylpentan-2-one
CID 173030101
(2-dimethylsilyloxy-3,3-dimethylbutyl) ethenyl carbonate
CID 173002161
2-dimethylsilyloxybut-3-enoic acid
CID 154503228
(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
CID 123610897
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
4-methanimidoyl-5,5-dimethylhex-1-en-3-one
CID 123444398
(6,6-dimethyl-1-prop-2-enoyloxyheptyl) prop-2-enoate
CID 154418165
dimethyl(silyloxy)silane;prop-2-enoic acid
CID 173073282
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
3,4,4-trimethylpentyl prop-2-enoate
CID 151450744

Frequently Asked Questions

What is the IUPAC name of 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one?
The IUPAC name of 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one (CID 173343952) is 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one.
What is the SMILES notation for 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one?
The canonical SMILES for 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one is C=CC(=O)C(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one?
The InChIKey is JPTKVQWPBBHSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-8(11)9(10(2,3)4)12-13(5)6/h7,9,13H,1H2,2-6H3.
What are the key properties of 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one?
4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one has a molecular weight of 200.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one is sourced from PubChem (CID 173343952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).