(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid

C13H24O3Si — CID 142751993

IUPAC(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h6,8,10-11H,7,9H2,1-5H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyZXYBIOZYVZBZSO-MNOVXSKESA-N
MW256.42 g/mol
LogP3.43
Rot. Bonds3

About (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid

(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid (PubChem CID 142751993) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid
PubChem CID142751993
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h6,8,10-11H,7,9H2,1-5H3,(H,14,15)/t10-,11+/m1/s1
InChIKeyZXYBIOZYVZBZSO-MNOVXSKESA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-ene-1-carboxylate
CID 102392364
(E,2R,3S)-3-hydroxy-2-[(1S)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 134887341
5-Tri(propan-2-yloxy)silylcyclohex-3-ene-1,2-dicarboxylic acid
CID 19379540
methyl (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 58681978
4-[Methoxy(dimethyl)silyl]cyclohex-4-ene-1,2-dicarboxylic acid
CID 70460154
methyl (1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 91568913
methyl (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
CID 171461762
1-[(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]ethanone
CID 173602752
methyl (1R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylate
CID 173718875
(E,2S,3R)-3-hydroxy-2-[(1R)-2-methyl-1-trimethylsilylpropyl]hex-4-enoic acid
CID 10539167
methyl (1R,2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclohex-3-ene-1-carboxylate
CID 11087915
2-[(1S,5R)-5-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-yl]acetic acid
CID 11122127

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid (CID 142751993) is (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H](C(=O)O)C1.
What is the InChIKey of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid?
The InChIKey is ZXYBIOZYVZBZSO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(4,5)16-11-8-6-7-10(9-11)12(14)15/h6,8,10-11H,7,9H2,1-5H3,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid?
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid has a molecular weight of 256.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-[tert-butyl(dimethyl)silyl]oxycyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 142751993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).