trimethyl 4-oxohept-5-en-3-yl silicate

C10H20O5Si — CID 141474259

IUPACtrimethyl 4-oxohept-5-en-3-yl silicate
SMILESCC=CC(=O)C(CC)O[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-8-9(11)10(7-2)15-16(12-3,13-4)14-5/h6,8,10H,7H2,1-5H3
InChIKeyKTRSVMRLUULAIR-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.30
Rot. Bonds8

About trimethyl 4-oxohept-5-en-3-yl silicate

trimethyl 4-oxohept-5-en-3-yl silicate (PubChem CID 141474259) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is trimethyl 4-oxohept-5-en-3-yl silicate.

Molecular Properties

Compound Nametrimethyl 4-oxohept-5-en-3-yl silicate
PubChem CID141474259
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Nametrimethyl 4-oxohept-5-en-3-yl silicate
SMILESCC=CC(=O)C(CC)O[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-8-9(11)10(7-2)15-16(12-3,13-4)14-5/h6,8,10H,7H2,1-5H3
InChIKeyKTRSVMRLUULAIR-UHFFFAOYSA-N
XLogP1.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(Z)-5-(methylamino)hept-2-en-4-one
CID 123783043
1-(carbamoylamino)propyl trimethyl silicate
CID 22456509
trimethyl 1-sulfanylpropyl silicate
CID 87253381
trimethoxysilyl propanoate
CID 87655017
trimethyl-(3-oxo-2-phosphonooxyhex-4-enyl)azanium
CID 160796745
7-[diethoxy(methyl)silyl]-5-hydroxyhept-2-en-4-one
CID 123376782
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(E)-5-ethylpentadec-2-en-4-one
CID 11687471
1-dimethoxyphosphoryloxypropyl (E)-but-2-enoate
CID 141131521
3-methylpentan-2-yl but-2-enoate
CID 86762558
trimethoxysilyl butanoate
CID 14250206

Frequently Asked Questions

What is the IUPAC name of trimethyl 4-oxohept-5-en-3-yl silicate?
The IUPAC name of trimethyl 4-oxohept-5-en-3-yl silicate (CID 141474259) is trimethyl 4-oxohept-5-en-3-yl silicate.
What is the SMILES notation for trimethyl 4-oxohept-5-en-3-yl silicate?
The canonical SMILES for trimethyl 4-oxohept-5-en-3-yl silicate is CC=CC(=O)C(CC)O[Si](OC)(OC)OC.
What is the InChIKey of trimethyl 4-oxohept-5-en-3-yl silicate?
The InChIKey is KTRSVMRLUULAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-6-8-9(11)10(7-2)15-16(12-3,13-4)14-5/h6,8,10H,7H2,1-5H3.
What are the key properties of trimethyl 4-oxohept-5-en-3-yl silicate?
trimethyl 4-oxohept-5-en-3-yl silicate has a molecular weight of 248.35 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 4-oxohept-5-en-3-yl silicate is sourced from PubChem (CID 141474259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).