4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid

C26H36O3Si — CID 69240889

IUPAC4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H](CCCC(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-26(2,3)30(23-15-6-4-7-16-23,24-17-8-5-9-18-24)29-22-14-10-12-21(20-22)13-11-19-25(27)28/h4-9,15-18,21-22H,10-14,19-20H2,1-3H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyLPQLTXLFEDPGQN-FGZHOGPDSA-N
MW424.66 g/mol
LogP5.38
Rot. Bonds8

About 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid

4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid (PubChem CID 69240889) has the molecular formula C26H36O3Si and a molecular weight of 424.66 g/mol. Its IUPAC name is 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid.

Molecular Properties

Compound Name4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
PubChem CID69240889
Molecular FormulaC26H36O3Si
Molecular Weight424.66 g/mol
Exact Mass424.24
IUPAC Name4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H](CCCC(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O3Si/c1-26(2,3)30(23-15-6-4-7-16-23,24-17-8-5-9-18-24)29-22-14-10-12-21(20-22)13-11-19-25(27)28/h4-9,15-18,21-22H,10-14,19-20H2,1-3H3,(H,27,28)/t21-,22-/m1/s1
InChIKeyLPQLTXLFEDPGQN-FGZHOGPDSA-N
XLogP5.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.66
LogP ≤ 55.38
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

tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
tert-butyl 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 69241608
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid?
The IUPAC name of 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid (CID 69240889) is 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid.
What is the SMILES notation for 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid?
The canonical SMILES for 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid is CC(C)(C)[Si](O[C@@H]1CCC[C@H](CCCC(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid?
The InChIKey is LPQLTXLFEDPGQN-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H36O3Si/c1-26(2,3)30(23-15-6-4-7-16-23,24-17-8-5-9-18-24)29-22-14-10-12-21(20-22)13-11-19-25(27)28/h4-9,15-18,21-22H,10-14,19-20H2,1-3H3,(H,27,28)/t21-,22-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid?
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid has a molecular weight of 424.66 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid is sourced from PubChem (CID 69240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).