3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate

C14H24O6Si — CID 150162581

IUPAC3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H24O6Si/c1-11(2)13(15)10-12(3)14(16)20-8-7-9-21(17-4,18-5)19-6/h10H,1,7-9H2,2-6H3
InChIKeyFHTBFSSFMCLBGO-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.89
Rot. Bonds10

About 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate

3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate (PubChem CID 150162581) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
PubChem CID150162581
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Name3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate
SMILESC=C(C)C(=O)C=C(C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C14H24O6Si/c1-11(2)13(15)10-12(3)14(16)20-8-7-9-21(17-4,18-5)19-6/h10H,1,7-9H2,2-6H3
InChIKeyFHTBFSSFMCLBGO-UHFFFAOYSA-N
XLogP1.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate?
The IUPAC name of 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate (CID 150162581) is 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate?
The canonical SMILES for 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate is C=C(C)C(=O)C=C(C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate?
The InChIKey is FHTBFSSFMCLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-11(2)13(15)10-12(3)14(16)20-8-7-9-21(17-4,18-5)19-6/h10H,1,7-9H2,2-6H3.
What are the key properties of 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate?
3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate has a molecular weight of 316.43 g/mol, XLogP of 1.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 2,5-dimethyl-4-oxohexa-2,5-dienoate is sourced from PubChem (CID 150162581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).