6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione

C9H16O4Si — CID 57099022

IUPAC6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](C)(OC)OC
InChIInChI=1S/C9H16O4Si/c1-5-8(10)9(11)6-7-14(4,12-2)13-3/h5H,1,6-7H2,2-4H3
InChIKeyGRKBAZVCNCWCTE-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.07
Rot. Bonds7

About 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione

6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione (PubChem CID 57099022) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione.

Molecular Properties

Compound Name6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione
PubChem CID57099022
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Name6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC[Si](C)(OC)OC
InChIInChI=1S/C9H16O4Si/c1-5-8(10)9(11)6-7-14(4,12-2)13-3/h5H,1,6-7H2,2-4H3
InChIKeyGRKBAZVCNCWCTE-UHFFFAOYSA-N
XLogP1.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione?
The IUPAC name of 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione (CID 57099022) is 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione.
What is the SMILES notation for 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione?
The canonical SMILES for 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione is C=CC(=O)C(=O)CC[Si](C)(OC)OC.
What is the InChIKey of 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione?
The InChIKey is GRKBAZVCNCWCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-5-8(10)9(11)6-7-14(4,12-2)13-3/h5H,1,6-7H2,2-4H3.
What are the key properties of 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione?
6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione has a molecular weight of 216.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethoxy(methyl)silyl]hex-1-ene-3,4-dione is sourced from PubChem (CID 57099022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).