3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol

C21H28O2Si — CID 173251163

IUPAC3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol
SMILESCC(C)(C)C1CCC(O)(O[SiH](c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H28O2Si/c1-20(2,3)17-14-15-21(22,16-17)23-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,22,24H,14-16H2,1-3H3
InChIKeyCOPCNVGDIFSAAL-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.08
Rot. Bonds4

About 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol

3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol (PubChem CID 173251163) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol
PubChem CID173251163
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol
SMILESCC(C)(C)C1CCC(O)(O[SiH](c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H28O2Si/c1-20(2,3)17-14-15-21(22,16-17)23-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,22,24H,14-16H2,1-3H3
InChIKeyCOPCNVGDIFSAAL-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol?
The IUPAC name of 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol (CID 173251163) is 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol.
What is the SMILES notation for 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol?
The canonical SMILES for 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol is CC(C)(C)C1CCC(O)(O[SiH](c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol?
The InChIKey is COPCNVGDIFSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-20(2,3)17-14-15-21(22,16-17)23-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,22,24H,14-16H2,1-3H3.
What are the key properties of 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol?
3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol has a molecular weight of 340.54 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-diphenylsilyloxycyclopentan-1-ol is sourced from PubChem (CID 173251163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).