2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid

C16H32O3Si — CID 141123282

IUPAC2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-10-8-9-12(11-13)16(4,5)14(17)18/h12-13H,8-11H2,1-7H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyGABYUIUIWPVIDH-OLZOCXBDSA-N
MW300.51 g/mol
LogP4.68
Rot. Bonds4

About 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid

2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid (PubChem CID 141123282) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
PubChem CID141123282
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-10-8-9-12(11-13)16(4,5)14(17)18/h12-13H,8-11H2,1-7H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyGABYUIUIWPVIDH-OLZOCXBDSA-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
3-Hydroxy-cyclohexylundecanoic acid
CID 129724781
3-Hydroxy-cyclohexyltridecanoic acid
CID 129724812
(3S,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylnonanoic acid
CID 138980519
ethyl 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetate
CID 10828109
(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 18666348
2-[(1S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl]acetic acid
CID 21334997
2-[3-hydroxy-5-[(2R)-undecan-2-yl]cyclohexyl]acetic acid
CID 56625659
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-2-propan-2-yloctanoic acid
CID 57189569
4-Tri(propan-2-yl)silyloxycyclohexane-1-carboxylic acid
CID 58512329
1-Methyl-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylic acid
CID 58512439
4-[Tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid
CID 66741822

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The IUPAC name of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid (CID 141123282) is 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid is CC(C)(C(=O)O)[C@@H]1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
The InChIKey is GABYUIUIWPVIDH-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-15(2,3)20(6,7)19-13-10-8-9-12(11-13)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-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid?
2-[(1R,3S)-3-[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-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-2-methylpropanoic acid is sourced from PubChem (CID 141123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).