trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol

C22H30O2Si — CID 25138469

IUPACtrans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18-19,23H,14-17H2,1-3H3/t18-,19-/m1/s1
InChIKeyXEKLVGKNSQGFMS-RTBURBONSA-N
MW354.57 g/mol
LogP3.72
Rot. Bonds5

About trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol

trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol (PubChem CID 25138469) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol
PubChem CID25138469
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Nametrans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18-19,23H,14-17H2,1-3H3/t18-,19-/m1/s1
InChIKeyXEKLVGKNSQGFMS-RTBURBONSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol (CID 25138469) is trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol is CC(C)(C)[Si](OC[C@@H]1CC[C@@H](O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol?
The InChIKey is XEKLVGKNSQGFMS-RTBURBONSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18-19,23H,14-17H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol?
trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol has a molecular weight of 354.57 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 25138469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).