2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid

C14H27FO3Si — CID 175965329

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCC1(F)C(=O)O
InChIInChI=1S/C14H27FO3Si/c1-13(2,3)19(4,5)18-10-11-8-6-7-9-14(11,15)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyYXWCGWDXJPYQSR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.99
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid (PubChem CID 175965329) has the molecular formula C14H27FO3Si and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid
PubChem CID175965329
Molecular FormulaC14H27FO3Si
Molecular Weight290.45 g/mol
Exact Mass290.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCC1CCCCC1(F)C(=O)O
InChIInChI=1S/C14H27FO3Si/c1-13(2,3)19(4,5)18-10-11-8-6-7-9-14(11,15)12(16)17/h11H,6-10H2,1-5H3,(H,16,17)
InChIKeyYXWCGWDXJPYQSR-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid (CID 175965329) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OCC1CCCCC1(F)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid?
The InChIKey is YXWCGWDXJPYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO3Si/c1-13(2,3)19(4,5)18-10-11-8-6-7-9-14(11,15)12(16)17/h11H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid has a molecular weight of 290.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 175965329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).