2-methyl-3-triethoxysilylcyclopentan-1-one

C12H24O4Si — CID 71346326

IUPAC2-methyl-3-triethoxysilylcyclopentan-1-one
SMILESCCO[Si](OCC)(OCC)C1CCC(=O)C1C
InChIInChI=1S/C12H24O4Si/c1-5-14-17(15-6-2,16-7-3)12-9-8-11(13)10(12)4/h10,12H,5-9H2,1-4H3
InChIKeyNVPBFTQAIXJMAO-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.40
Rot. Bonds7

About 2-methyl-3-triethoxysilylcyclopentan-1-one

2-methyl-3-triethoxysilylcyclopentan-1-one (PubChem CID 71346326) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-methyl-3-triethoxysilylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-triethoxysilylcyclopentan-1-one
PubChem CID71346326
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name2-methyl-3-triethoxysilylcyclopentan-1-one
SMILESCCO[Si](OCC)(OCC)C1CCC(=O)C1C
InChIInChI=1S/C12H24O4Si/c1-5-14-17(15-6-2,16-7-3)12-9-8-11(13)10(12)4/h10,12H,5-9H2,1-4H3
InChIKeyNVPBFTQAIXJMAO-UHFFFAOYSA-N
XLogP2.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-triethoxysilylcyclopentan-1-one?
The IUPAC name of 2-methyl-3-triethoxysilylcyclopentan-1-one (CID 71346326) is 2-methyl-3-triethoxysilylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-triethoxysilylcyclopentan-1-one?
The canonical SMILES for 2-methyl-3-triethoxysilylcyclopentan-1-one is CCO[Si](OCC)(OCC)C1CCC(=O)C1C.
What is the InChIKey of 2-methyl-3-triethoxysilylcyclopentan-1-one?
The InChIKey is NVPBFTQAIXJMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-14-17(15-6-2,16-7-3)12-9-8-11(13)10(12)4/h10,12H,5-9H2,1-4H3.
What are the key properties of 2-methyl-3-triethoxysilylcyclopentan-1-one?
2-methyl-3-triethoxysilylcyclopentan-1-one has a molecular weight of 260.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-triethoxysilylcyclopentan-1-one is sourced from PubChem (CID 71346326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).