4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid

C22H28O4Si — CID 155658327

IUPAC4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](OCC1COC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-16-17-14-20(21(23)24)25-15-17/h4-13,17,20H,14-16H2,1-3H3,(H,23,24)
InChIKeyPBDWMZLHSWAKJO-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.05
Rot. Bonds6

About 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid

4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid (PubChem CID 155658327) has the molecular formula C22H28O4Si and a molecular weight of 384.55 g/mol. Its IUPAC name is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
PubChem CID155658327
Molecular FormulaC22H28O4Si
Molecular Weight384.55 g/mol
Exact Mass384.18
IUPAC Name4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](OCC1COC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O4Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-16-17-14-20(21(23)24)25-15-17/h4-13,17,20H,14-16H2,1-3H3,(H,23,24)
InChIKeyPBDWMZLHSWAKJO-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
CID 175936274
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
tert-butyl 5-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pentanoate
CID 166524601

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid?
The IUPAC name of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid (CID 155658327) is 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid is CC(C)(C)[Si](OCC1COC(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid?
The InChIKey is PBDWMZLHSWAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)26-16-17-14-20(21(23)24)25-15-17/h4-13,17,20H,14-16H2,1-3H3,(H,23,24).
What are the key properties of 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid?
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid has a molecular weight of 384.55 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 155658327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).