(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol

C15H32O3Si — CID 58184441

IUPAC(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@H](O)[C@H](CCO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-11-9-14(17)12(7-8-16)13(11)10-18-19(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3/t11-,12-,13+,14+/m1/s1
InChIKeyOCFWMXCRYQRHBB-MQYQWHSLSA-N
MW288.50 g/mol
LogP3.02
Rot. Bonds5

About (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol

(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol (PubChem CID 58184441) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
PubChem CID58184441
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@H](O)[C@H](CCO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O3Si/c1-11-9-14(17)12(7-8-16)13(11)10-18-19(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3/t11-,12-,13+,14+/m1/s1
InChIKeyOCFWMXCRYQRHBB-MQYQWHSLSA-N
XLogP3.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol 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,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol (CID 58184441) is (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol is C[C@@H]1C[C@H](O)[C@H](CCO)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol?
The InChIKey is OCFWMXCRYQRHBB-MQYQWHSLSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-11-9-14(17)12(7-8-16)13(11)10-18-19(5,6)15(2,3)4/h11-14,16-17H,7-10H2,1-6H3/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol?
(1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol has a molecular weight of 288.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxyethyl)-4-methylcyclopentan-1-ol is sourced from PubChem (CID 58184441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).