2-methyl-7-triethoxysilylhept-1-en-3-one

C14H28O4Si — CID 58330342

IUPAC2-methyl-7-triethoxysilylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-14(15)13(4)5/h4,6-12H2,1-3,5H3
InChIKeyBUKIEKNIJGSBJW-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.35
Rot. Bonds12

About 2-methyl-7-triethoxysilylhept-1-en-3-one

2-methyl-7-triethoxysilylhept-1-en-3-one (PubChem CID 58330342) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-methyl-7-triethoxysilylhept-1-en-3-one.

Molecular Properties

Compound Name2-methyl-7-triethoxysilylhept-1-en-3-one
PubChem CID58330342
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-methyl-7-triethoxysilylhept-1-en-3-one
SMILESC=C(C)C(=O)CCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C14H28O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-14(15)13(4)5/h4,6-12H2,1-3,5H3
InChIKeyBUKIEKNIJGSBJW-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-7-triethoxysilylhept-1-en-3-one?
The IUPAC name of 2-methyl-7-triethoxysilylhept-1-en-3-one (CID 58330342) is 2-methyl-7-triethoxysilylhept-1-en-3-one.
What is the SMILES notation for 2-methyl-7-triethoxysilylhept-1-en-3-one?
The canonical SMILES for 2-methyl-7-triethoxysilylhept-1-en-3-one is C=C(C)C(=O)CCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-methyl-7-triethoxysilylhept-1-en-3-one?
The InChIKey is BUKIEKNIJGSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-6-16-19(17-7-2,18-8-3)12-10-9-11-14(15)13(4)5/h4,6-12H2,1-3,5H3.
What are the key properties of 2-methyl-7-triethoxysilylhept-1-en-3-one?
2-methyl-7-triethoxysilylhept-1-en-3-one has a molecular weight of 288.46 g/mol, XLogP of 3.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-triethoxysilylhept-1-en-3-one is sourced from PubChem (CID 58330342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).