methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate

C17H32O3Si — CID 70828231

IUPACmethyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate
SMILESCC[Si](CC)(CC)OC1C(C(=O)OC)CCC12CCCC2
InChIInChI=1S/C17H32O3Si/c1-5-21(6-2,7-3)20-15-14(16(18)19-4)10-13-17(15)11-8-9-12-17/h14-15H,5-13H2,1-4H3
InChIKeyUQWOHJXHHVSTPG-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.52
Rot. Bonds6

About methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate

methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate (PubChem CID 70828231) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate
PubChem CID70828231
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate
SMILESCC[Si](CC)(CC)OC1C(C(=O)OC)CCC12CCCC2
InChIInChI=1S/C17H32O3Si/c1-5-21(6-2,7-3)20-15-14(16(18)19-4)10-13-17(15)11-8-9-12-17/h14-15H,5-13H2,1-4H3
InChIKeyUQWOHJXHHVSTPG-UHFFFAOYSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate?
The IUPAC name of methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate (CID 70828231) is methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate.
What is the SMILES notation for methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate?
The canonical SMILES for methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate is CC[Si](CC)(CC)OC1C(C(=O)OC)CCC12CCCC2.
What is the InChIKey of methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate?
The InChIKey is UQWOHJXHHVSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-5-21(6-2,7-3)20-15-14(16(18)19-4)10-13-17(15)11-8-9-12-17/h14-15H,5-13H2,1-4H3.
What are the key properties of methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate?
methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate has a molecular weight of 312.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-triethylsilyloxyspiro[4.4]nonane-3-carboxylate is sourced from PubChem (CID 70828231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).