(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol

C13H26O3Si — CID 11129004

IUPAC(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol
SMILESCO[C@@H]1CC=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyBRAVAHPAWVGJQV-QJPTWQEYSA-N
MW258.43 g/mol
LogP2.71
Rot. Bonds3

About (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol

(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol (PubChem CID 11129004) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol
PubChem CID11129004
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol
SMILESCO[C@@H]1CC=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12+/m0/s1
InChIKeyBRAVAHPAWVGJQV-QJPTWQEYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
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,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-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,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol?
The IUPAC name of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol (CID 11129004) is (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol is CO[C@@H]1CC=C[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol?
The InChIKey is BRAVAHPAWVGJQV-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(5,6)16-12-10(14)8-7-9-11(12)15-4/h7-8,10-12,14H,9H2,1-6H3/t10-,11+,12+/m0/s1.
What are the key properties of (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol?
(1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol has a molecular weight of 258.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxycyclohex-2-en-1-ol is sourced from PubChem (CID 11129004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).