(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

C13H26O3Si — CID 67982857

IUPAC(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1CO
InChIInChI=1S/C13H26O3Si/c1-9-10(8-14)11(15)7-12(9)16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3/t10-,11-,12+/m0/s1
InChIKeyZGZXVCSIWBVVMX-SDDRHHMPSA-N
MW258.43 g/mol
LogP2.31
Rot. Bonds3

About (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (PubChem CID 67982857) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
PubChem CID67982857
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1CO
InChIInChI=1S/C13H26O3Si/c1-9-10(8-14)11(15)7-12(9)16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3/t10-,11-,12+/m0/s1
InChIKeyZGZXVCSIWBVVMX-SDDRHHMPSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-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,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (CID 67982857) is (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is C=C1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1CO.
What is the InChIKey of (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The InChIKey is ZGZXVCSIWBVVMX-SDDRHHMPSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-10(8-14)11(15)7-12(9)16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3/t10-,11-,12+/m0/s1.
What are the key properties of (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
(1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol has a molecular weight of 258.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 67982857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).