[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol

C21H28O2Si — CID 11131629

IUPAC[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18+/m1/s1
InChIKeyUDQZGHRUSQGZFC-MSOLQXFVSA-N
MW340.54 g/mol
LogP3.19
Rot. Bonds6

About [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol

[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol (PubChem CID 11131629) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol
PubChem CID11131629
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H]1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18+/m1/s1
InChIKeyUDQZGHRUSQGZFC-MSOLQXFVSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol (CID 11131629) is [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol is CC(C)(C)[Si](OC[C@@H]1C[C@@H]1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol?
The InChIKey is UDQZGHRUSQGZFC-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-16-18-14-17(18)15-22/h4-13,17-18,22H,14-16H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol?
[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol has a molecular weight of 340.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 11131629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).