(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol

C12H24O2Si — CID 10878926

IUPAC(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)[C@H]1C=CC[C@H](O)[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h6,8-11,13-14H,7H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyIZNSJPFJELPRFX-DCAQKATOSA-N
MW228.41 g/mol
LogP2.55
Rot. Bonds1

About (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol

(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol (PubChem CID 10878926) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol
PubChem CID10878926
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)[C@H]1C=CC[C@H](O)[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h6,8-11,13-14H,7H2,1-5H3/t9-,10-,11-/m0/s1
InChIKeyIZNSJPFJELPRFX-DCAQKATOSA-N
XLogP2.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-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,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The IUPAC name of (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol (CID 10878926) is (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The canonical SMILES for (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol is CC(C)(C)[Si](C)(C)[C@H]1C=CC[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
The InChIKey is IZNSJPFJELPRFX-DCAQKATOSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)10-8-6-7-9(13)11(10)14/h6,8-11,13-14H,7H2,1-5H3/t9-,10-,11-/m0/s1.
What are the key properties of (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol?
(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol has a molecular weight of 228.41 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 10878926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).