1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol

C11H22OS2 — CID 135082250

IUPAC1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CC(C)SC(C(O)C(C)(C)C)S1
InChIInChI=1S/C11H22OS2/c1-7-6-8(2)14-10(13-7)9(12)11(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyXAXZVEZWCZTEDC-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.37
Rot. Bonds1

About 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol

1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 135082250) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID135082250
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CC(C)SC(C(O)C(C)(C)C)S1
InChIInChI=1S/C11H22OS2/c1-7-6-8(2)14-10(13-7)9(12)11(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyXAXZVEZWCZTEDC-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

2-(1-Hydroxybutyl)-2-methyl-1,3-dithian
CID 12476960
1,3,5-Trithiane-2,4,6-triethanol, alpha2,alpha4,alpha6-trimethyl-
CID 44145154
2-Tert-butyl-1,3-dithian-5-ol
CID 303703
1,1-Bis(ethylsulfanyl)-2,4-dimethylpentan-3-ol
CID 12129078
1-(1,3-Dithian-2-yl)-2,2-dimethylpropan-1-ol
CID 12140407
1-(2-Tert-butyl-1,3-dithian-2-yl)butan-1-ol
CID 14569689
2-(1,3-Dithian-2-yl)-2-methylpropan-1-ol
CID 15441852
1-(2-Methyl-1,3-dithian-2-yl)propan-2-ol
CID 91982864
t-Butyl-2-hydroxyethyl sulfide
CID 129810197
(1S)-1-(2-ethyl-1,3-dithian-2-yl)ethanol
CID 130737864
(2S)-1-(2-methyl-1,3-dithian-2-yl)propan-2-ol
CID 130927448
(2-Tert-butyl-1,3-dithian-5-yl)methanol
CID 303706

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol (CID 135082250) is 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol is CC1CC(C)SC(C(O)C(C)(C)C)S1.
What is the InChIKey of 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is XAXZVEZWCZTEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-7-6-8(2)14-10(13-7)9(12)11(3,4)5/h7-10,12H,6H2,1-5H3.
What are the key properties of 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol?
1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 234.43 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 135082250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).