4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid

C10H20O4Si — CID 58861662

IUPAC4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid
SMILESCO[Si](C)(OC)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O4Si/c1-13-15(3,14-2)9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyUQZQLPDWUSSTSX-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.00
Rot. Bonds4

About 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid

4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid (PubChem CID 58861662) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid
PubChem CID58861662
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid
SMILESCO[Si](C)(OC)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20O4Si/c1-13-15(3,14-2)9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyUQZQLPDWUSSTSX-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid (CID 58861662) is 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid is CO[Si](C)(OC)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid?
The InChIKey is UQZQLPDWUSSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-13-15(3,14-2)9-6-4-8(5-7-9)10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid?
4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid has a molecular weight of 232.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethoxy(methyl)silyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 58861662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).