2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid

C12H22O4Si — CID 90108496

IUPAC2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C(=O)O
InChIInChI=1S/C12H22O4Si/c1-12(11(13)14)7-6-9(8-10(12)15-2)16-17(3,4)5/h8,10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUUAGCPXCPHYLLR-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.62
Rot. Bonds4

About 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid

2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid (PubChem CID 90108496) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid
PubChem CID90108496
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C(=O)O
InChIInChI=1S/C12H22O4Si/c1-12(11(13)14)7-6-9(8-10(12)15-2)16-17(3,4)5/h8,10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUUAGCPXCPHYLLR-UHFFFAOYSA-N
XLogP2.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid 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 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid (CID 90108496) is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid is COC1C=C(O[Si](C)(C)C)CCC1(C)C(=O)O.
What is the InChIKey of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid?
The InChIKey is UUAGCPXCPHYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(11(13)14)7-6-9(8-10(12)15-2)16-17(3,4)5/h8,10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid?
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid has a molecular weight of 258.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 90108496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).