6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol

C12H20F2OSi — CID 140981349

IUPAC6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)C1(F)C=CC(F)=CC1O
InChIInChI=1S/C12H20F2OSi/c1-11(2,3)16(4,5)12(14)7-6-9(13)8-10(12)15/h6-8,10,15H,1-5H3
InChIKeyZMZQUOCFLLRWCD-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.53
Rot. Bonds1

About 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol

6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 140981349) has the molecular formula C12H20F2OSi and a molecular weight of 246.37 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol
PubChem CID140981349
Molecular FormulaC12H20F2OSi
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)[Si](C)(C)C1(F)C=CC(F)=CC1O
InChIInChI=1S/C12H20F2OSi/c1-11(2,3)16(4,5)12(14)7-6-9(13)8-10(12)15/h6-8,10,15H,1-5H3
InChIKeyZMZQUOCFLLRWCD-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-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

(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol
CID 139252510
(2R,3E)-1-[tert-butyl(dimethyl)silyl]oxy-4-fluorohexa-3,5-dien-2-ol
CID 11149286
(2E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-5,5-difluoroocta-2,6-dien-4-ol
CID 16087519
(1S,2S)-3-[ethenyl(dimethyl)silyl]cyclohexa-3,5-diene-1,2-diol
CID 9990281
(1S,2S)-3-trimethylsilylcyclohexa-3,5-diene-1,2-diol
CID 10241504
(1S,6S)-6-methyl-2-(trimethylsilylmethyl)cyclohexa-2,4-dien-1-ol
CID 58805435
CID 59730953
CID 59730953
(1S,6S)-6-methyl-2-trimethylsilylcyclohexa-2,4-dien-1-ol
CID 59730954
CID 59730955
CID 59730955
(1S,6S)-2-[ethenyl(dimethyl)silyl]-6-methylcyclohexa-2,4-dien-1-ol
CID 59730956

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol (CID 140981349) is 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol is CC(C)(C)[Si](C)(C)C1(F)C=CC(F)=CC1O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is ZMZQUOCFLLRWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2OSi/c1-11(2,3)16(4,5)12(14)7-6-9(13)8-10(12)15/h6-8,10,15H,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol?
6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 246.37 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]-3,6-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 140981349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).