6-dimethylsilyloxy-2-methylhex-1-en-3-one

C9H18O2Si — CID 151943919

IUPAC6-dimethylsilyloxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCO[SiH](C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)9(10)6-5-7-11-12(3)4/h12H,1,5-7H2,2-4H3
InChIKeyTVGMEWVTFIYCPQ-UHFFFAOYSA-N
MW186.33 g/mol
LogP1.91
Rot. Bonds6

About 6-dimethylsilyloxy-2-methylhex-1-en-3-one

6-dimethylsilyloxy-2-methylhex-1-en-3-one (PubChem CID 151943919) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 6-dimethylsilyloxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name6-dimethylsilyloxy-2-methylhex-1-en-3-one
PubChem CID151943919
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name6-dimethylsilyloxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CCCO[SiH](C)C
InChIInChI=1S/C9H18O2Si/c1-8(2)9(10)6-5-7-11-12(3)4/h12H,1,5-7H2,2-4H3
InChIKeyTVGMEWVTFIYCPQ-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-dimethylsilyloxy-2-methylhex-1-en-3-one?
The IUPAC name of 6-dimethylsilyloxy-2-methylhex-1-en-3-one (CID 151943919) is 6-dimethylsilyloxy-2-methylhex-1-en-3-one.
What is the SMILES notation for 6-dimethylsilyloxy-2-methylhex-1-en-3-one?
The canonical SMILES for 6-dimethylsilyloxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCO[SiH](C)C.
What is the InChIKey of 6-dimethylsilyloxy-2-methylhex-1-en-3-one?
The InChIKey is TVGMEWVTFIYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(2)9(10)6-5-7-11-12(3)4/h12H,1,5-7H2,2-4H3.
What are the key properties of 6-dimethylsilyloxy-2-methylhex-1-en-3-one?
6-dimethylsilyloxy-2-methylhex-1-en-3-one has a molecular weight of 186.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylsilyloxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 151943919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).