trimethyl (5-methyl-4-oxohex-5-enyl) silicate

C10H20O5Si — CID 14367926

IUPACtrimethyl (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-9(2)10(11)7-6-8-15-16(12-3,13-4)14-5/h1,6-8H2,2-5H3
InChIKeyMZIGEXAGOVUGIC-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.30
Rot. Bonds9

About trimethyl (5-methyl-4-oxohex-5-enyl) silicate

trimethyl (5-methyl-4-oxohex-5-enyl) silicate (PubChem CID 14367926) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is trimethyl (5-methyl-4-oxohex-5-enyl) silicate.

Molecular Properties

Compound Nametrimethyl (5-methyl-4-oxohex-5-enyl) silicate
PubChem CID14367926
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Nametrimethyl (5-methyl-4-oxohex-5-enyl) silicate
SMILESC=C(C)C(=O)CCCO[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-9(2)10(11)7-6-8-15-16(12-3,13-4)14-5/h1,6-8H2,2-5H3
InChIKeyMZIGEXAGOVUGIC-UHFFFAOYSA-N
XLogP1.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
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': '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 trimethyl (5-methyl-4-oxohex-5-enyl) silicate?
The IUPAC name of trimethyl (5-methyl-4-oxohex-5-enyl) silicate (CID 14367926) is trimethyl (5-methyl-4-oxohex-5-enyl) silicate.
What is the SMILES notation for trimethyl (5-methyl-4-oxohex-5-enyl) silicate?
The canonical SMILES for trimethyl (5-methyl-4-oxohex-5-enyl) silicate is C=C(C)C(=O)CCCO[Si](OC)(OC)OC.
What is the InChIKey of trimethyl (5-methyl-4-oxohex-5-enyl) silicate?
The InChIKey is MZIGEXAGOVUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-9(2)10(11)7-6-8-15-16(12-3,13-4)14-5/h1,6-8H2,2-5H3.
What are the key properties of trimethyl (5-methyl-4-oxohex-5-enyl) silicate?
trimethyl (5-methyl-4-oxohex-5-enyl) silicate has a molecular weight of 248.35 g/mol, XLogP of 1.30, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl (5-methyl-4-oxohex-5-enyl) silicate is sourced from PubChem (CID 14367926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).