methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate

C13H24O4Si — CID 11471277

IUPACmethyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate
SMILESCOC(=O)C(OC)C1(O[Si](C)(C)C)C=CCCC1
InChIInChI=1S/C13H24O4Si/c1-15-11(12(14)16-2)13(17-18(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3
InChIKeyYFSBOUHAYHQBHU-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate

methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate (PubChem CID 11471277) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate
PubChem CID11471277
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate
SMILESCOC(=O)C(OC)C1(O[Si](C)(C)C)C=CCCC1
InChIInChI=1S/C13H24O4Si/c1-15-11(12(14)16-2)13(17-18(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3
InChIKeyYFSBOUHAYHQBHU-UHFFFAOYSA-N
XLogP2.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate 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 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate?
The IUPAC name of methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate (CID 11471277) is methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate.
What is the SMILES notation for methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate?
The canonical SMILES for methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate is COC(=O)C(OC)C1(O[Si](C)(C)C)C=CCCC1.
What is the InChIKey of methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate?
The InChIKey is YFSBOUHAYHQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-15-11(12(14)16-2)13(17-18(3,4)5)9-7-6-8-10-13/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate?
methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate has a molecular weight of 272.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-(1-trimethylsilyloxycyclohex-2-en-1-yl)acetate is sourced from PubChem (CID 11471277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).