(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H28O2S2 — CID 103345318

IUPAC(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1SCC(C(O)C2CC(C)(C)OC2(C)C)SC1C
InChIInChI=1S/C15H28O2S2/c1-9-10(2)19-12(8-18-9)13(16)11-7-14(3,4)17-15(11,5)6/h9-13,16H,7-8H2,1-6H3
InChIKeyJJGAQZCGMVWZMU-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.57
Rot. Bonds2

About (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 103345318) has the molecular formula C15H28O2S2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID103345318
Molecular FormulaC15H28O2S2
Molecular Weight304.52 g/mol
Exact Mass304.15
IUPAC Name(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1SCC(C(O)C2CC(C)(C)OC2(C)C)SC1C
InChIInChI=1S/C15H28O2S2/c1-9-10(2)19-12(8-18-9)13(16)11-7-14(3,4)17-15(11,5)6/h9-13,16H,7-8H2,1-6H3
InChIKeyJJGAQZCGMVWZMU-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 103345318) is (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1SCC(C(O)C2CC(C)(C)OC2(C)C)SC1C.
What is the InChIKey of (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is JJGAQZCGMVWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2S2/c1-9-10(2)19-12(8-18-9)13(16)11-7-14(3,4)17-15(11,5)6/h9-13,16H,7-8H2,1-6H3.
What are the key properties of (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 304.52 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 103345318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).