1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol

C10H20OS2 — CID 10932997

IUPAC1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CC1SCCCS1
InChIInChI=1S/C10H20OS2/c1-10(2,3)8(11)7-9-12-5-4-6-13-9/h8-9,11H,4-7H2,1-3H3
InChIKeyGDQITUAGTKKAFC-UHFFFAOYSA-N
MW220.40 g/mol
LogP2.98
Rot. Bonds2

About 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol

1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol (PubChem CID 10932997) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol
PubChem CID10932997
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Name1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CC1SCCCS1
InChIInChI=1S/C10H20OS2/c1-10(2,3)8(11)7-9-12-5-4-6-13-9/h8-9,11H,4-7H2,1-3H3
InChIKeyGDQITUAGTKKAFC-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Dithian-2-yl)-3-methylbutan-1-ol
CID 641991
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
(1S,2R)-1-(1,3-dithian-2-yl)-3,3-dimethylbutane-1,2,4-triol
CID 14891736
(1R,2R)-1-(1,3-dithian-2-yl)-3,3-dimethylbutane-1,2,4-triol
CID 14891737
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
(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
1-(4,6-Dimethyl-1,3-dithian-2-yl)-2,2-dimethylpropan-1-ol
CID 135082250

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol (CID 10932997) is 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CC1SCCCS1.
What is the InChIKey of 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is GDQITUAGTKKAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS2/c1-10(2,3)8(11)7-9-12-5-4-6-13-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol?
1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 220.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 10932997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).