2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one

C13H26O5Si — CID 161083302

IUPAC2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-12(2)13(14)8-6-9-18-10-7-11-19(15-3,16-4)17-5/h1,6-11H2,2-5H3
InChIKeyUGEKUBSMZVLOTO-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.20
Rot. Bonds12

About 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one

2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one (PubChem CID 161083302) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one
PubChem CID161083302
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one
SMILESC=C(C)C(=O)CCCOCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-12(2)13(14)8-6-9-18-10-7-11-19(15-3,16-4)17-5/h1,6-11H2,2-5H3
InChIKeyUGEKUBSMZVLOTO-UHFFFAOYSA-N
XLogP2.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.20
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 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one?
The IUPAC name of 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one (CID 161083302) is 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one.
What is the SMILES notation for 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one?
The canonical SMILES for 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one is C=C(C)C(=O)CCCOCCC[Si](OC)(OC)OC.
What is the InChIKey of 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one?
The InChIKey is UGEKUBSMZVLOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-12(2)13(14)8-6-9-18-10-7-11-19(15-3,16-4)17-5/h1,6-11H2,2-5H3.
What are the key properties of 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one?
2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one has a molecular weight of 290.43 g/mol, XLogP of 2.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-trimethoxysilylpropoxy)hex-1-en-3-one is sourced from PubChem (CID 161083302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).