(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol

C13H26O3Si — CID 11021568

IUPAC(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H](O)C=C[C@H](O)C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-8-10(14)6-7-11(15)9-12/h6-7,10-12,14-15H,8-9H2,1-5H3/t10-,11+,12?
InChIKeyOYEIGEOUTPUFET-FOSCPWQOSA-N
MW258.43 g/mol
LogP2.45
Rot. Bonds2

About (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol

(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol (PubChem CID 11021568) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol.

Molecular Properties

Compound Name(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
PubChem CID11021568
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H](O)C=C[C@H](O)C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-8-10(14)6-7-11(15)9-12/h6-7,10-12,14-15H,8-9H2,1-5H3/t10-,11+,12?
InChIKeyOYEIGEOUTPUFET-FOSCPWQOSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.45
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,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol 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,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol?
The IUPAC name of (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol (CID 11021568) is (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol.
What is the SMILES notation for (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol?
The canonical SMILES for (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol is CC(C)(C)[Si](C)(C)OC1C[C@H](O)C=C[C@H](O)C1.
What is the InChIKey of (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol?
The InChIKey is OYEIGEOUTPUFET-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-12-8-10(14)6-7-11(15)9-12/h6-7,10-12,14-15H,8-9H2,1-5H3/t10-,11+,12?.
What are the key properties of (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol?
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol has a molecular weight of 258.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol is sourced from PubChem (CID 11021568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).