(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol

C14H28O2Si — CID 11172898

IUPAC(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C14H28O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12-13,15H,9H2,1-7H3/t10-,12+,13-/m0/s1
InChIKeyDGXFKATWTYRISB-UHTWSYAYSA-N
MW256.46 g/mol
LogP3.72
Rot. Bonds2

About (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol

(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol (PubChem CID 11172898) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol
PubChem CID11172898
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol
SMILESCC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O
InChIInChI=1S/C14H28O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12-13,15H,9H2,1-7H3/t10-,12+,13-/m0/s1
InChIKeyDGXFKATWTYRISB-UHTWSYAYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
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,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-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

Related Compounds

(1R,2R,6S)-3-methyl-6-(1-methylethenyl)cyclohex-3-ene-1,2-diol
CID 53257409
(1S,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261055
(1R,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261056
(1S,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261058
(1R,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261209
(1S,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 56666463
(1R,2S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261057
(1S,2S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261208
3-Methyl-6-(prop-1-en-2-yl)cyclohex-3-ene-1,2-diol
CID 53345361
p-Menth-1-ene-5,6-diol
CID 24901214
(1S,2R)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diol
CID 134880251
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol?
The IUPAC name of (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol (CID 11172898) is (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol is CC1=C[C@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O.
What is the InChIKey of (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol?
The InChIKey is DGXFKATWTYRISB-UHTWSYAYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-10-8-11(2)13(15)12(9-10)16-17(6,7)14(3,4)5/h8,10,12-13,15H,9H2,1-7H3/t10-,12+,13-/m0/s1.
What are the key properties of (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol?
(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 11172898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).