2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid

C24H32O3Si — CID 68920543

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
SMILESCC(C)(C)[Si](OC1CCCCC1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-22-17-11-10-12-19(22)18-23(25)26/h4-9,13-16,19,22H,10-12,17-18H2,1-3H3,(H,25,26)
InChIKeyWJFIITLQRYJPMU-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.60
Rot. Bonds6

About 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid

2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid (PubChem CID 68920543) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
PubChem CID68920543
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
SMILESCC(C)(C)[Si](OC1CCCCC1CC(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-22-17-11-10-12-19(22)18-23(25)26/h4-9,13-16,19,22H,10-12,17-18H2,1-3H3,(H,25,26)
InChIKeyWJFIITLQRYJPMU-UHFFFAOYSA-N
XLogP4.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.60
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

2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
3-[(2S,3S)-2-[tert-butyl(diphenyl)silyl]oxyoxan-3-yl]propanal
CID 10960274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid (CID 68920543) is 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid is CC(C)(C)[Si](OC1CCCCC1CC(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid?
The InChIKey is WJFIITLQRYJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)27-22-17-11-10-12-19(22)18-23(25)26/h4-9,13-16,19,22H,10-12,17-18H2,1-3H3,(H,25,26).
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid?
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid has a molecular weight of 396.60 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid is sourced from PubChem (CID 68920543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).