6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione

C12H22O4Si — CID 141307925

IUPAC6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](C)(OCC)OCC
InChIInChI=1S/C12H22O4Si/c1-6-11(13)12(14)9-10(4)17(5,15-7-2)16-8-3/h6,10H,1,7-9H2,2-5H3
InChIKeyGOVJVPFCFLVYOB-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.24
Rot. Bonds9

About 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione

6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione (PubChem CID 141307925) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione.

Molecular Properties

Compound Name6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione
PubChem CID141307925
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione
SMILESC=CC(=O)C(=O)CC(C)[Si](C)(OCC)OCC
InChIInChI=1S/C12H22O4Si/c1-6-11(13)12(14)9-10(4)17(5,15-7-2)16-8-3/h6,10H,1,7-9H2,2-5H3
InChIKeyGOVJVPFCFLVYOB-UHFFFAOYSA-N
XLogP2.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.24
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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Related Compounds

3-Acryloylpropyl trimethoxysilane
CID 22323146
7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-one
CID 11128489
6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-one
CID 14891413
4-Trimethoxysilylhex-1-en-3-one
CID 17779562
4-[Dimethyl(trimethylsilyloxy)silyl]hex-1-en-3-one
CID 17925153
6-[Diethoxy(methyl)silyl]hex-1-en-3-one
CID 17987009
6-[Dimethoxy(methyl)silyl]hex-1-en-3-one
CID 17987010
6-Triethoxysilylhex-1-en-3-one
CID 22323143
1-[Diethoxy(methyl)silyl]-5-methylhex-1-ene-3,4-dione
CID 54031804
6-[Ethoxy(diethyl)silyl]hex-1-ene-3,4-dione
CID 56994463
6-[Dimethoxy(methyl)silyl]hex-1-ene-3,4-dione
CID 57099022
6-Trimethoxysilylhex-1-ene-3,4-dione
CID 57127511

Frequently Asked Questions

What is the IUPAC name of 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione?
The IUPAC name of 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione (CID 141307925) is 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione.
What is the SMILES notation for 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione?
The canonical SMILES for 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione is C=CC(=O)C(=O)CC(C)[Si](C)(OCC)OCC.
What is the InChIKey of 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione?
The InChIKey is GOVJVPFCFLVYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-6-11(13)12(14)9-10(4)17(5,15-7-2)16-8-3/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione?
6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione has a molecular weight of 258.39 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diethoxy(methyl)silyl]hept-1-ene-3,4-dione is sourced from PubChem (CID 141307925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).