2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid

C16H32O3Si — CID 141119660

IUPAC2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-11-9-8-10-12(13)16(4,5)14(17)18/h12-13H,8-11H2,1-7H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyRICRDBOKPVBIMS-CHWSQXEVSA-N
MW300.51 g/mol
LogP4.68
Rot. Bonds4

About 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid

2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid (PubChem CID 141119660) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
PubChem CID141119660
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-11-9-8-10-12(13)16(4,5)14(17)18/h12-13H,8-11H2,1-7H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyRICRDBOKPVBIMS-CHWSQXEVSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-6-oxocyclohexyl]propanoic acid
CID 10947445
2-[(1S,2R)-2-hydroxycyclohexyl]-2-methylpropanoic acid
CID 68583044
cis-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid
CID 134988135
3-[4-[2-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
CID 21266261
10-[Tert-butyl(dimethyl)silyl]oxy-11-methyl-2-nonylpentacosanoic acid
CID 57266548
3-[[4-[Tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]-4-methoxy-4-oxobutanoic acid
CID 66702069
Methyl 2-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]-4-hydroxybutanoate
CID 66702099
2-(2-Hydroxycyclohexyl)-2-methylpropanoic acid
CID 77526097
2-[[4-[Tert-butyl(dimethyl)silyl]oxycyclohexyl]methyl]butanedioic acid
CID 91452436
trans-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carboxylic acid
CID 123392050
4-[Tert-butyl(dimethyl)silyl]oxy-2-(cyclohexylmethyl)butanoic acid
CID 132534237
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylbutanoic acid
CID 140744030

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The IUPAC name of 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid (CID 141119660) is 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid is CC(C)(C(=O)O)[C@@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The InChIKey is RICRDBOKPVBIMS-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-11-9-8-10-12(13)16(4,5)14(17)18/h12-13H,8-11H2,1-7H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid has a molecular weight of 300.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid is sourced from PubChem (CID 141119660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).