(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol

C10H20O2S2 — CID 135069547

IUPAC(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESC[C@@H](O)CC1(C[C@@H](C)O)SCCCS1
InChIInChI=1S/C10H20O2S2/c1-8(11)6-10(7-9(2)12)13-4-3-5-14-10/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOJENBYSJBUNODY-RKDXNWHRSA-N
MW236.40 g/mol
LogP2.09
Rot. Bonds4

About (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol

(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol (PubChem CID 135069547) has the molecular formula C10H20O2S2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
PubChem CID135069547
Molecular FormulaC10H20O2S2
Molecular Weight236.40 g/mol
Exact Mass236.09
IUPAC Name(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESC[C@@H](O)CC1(C[C@@H](C)O)SCCCS1
InChIInChI=1S/C10H20O2S2/c1-8(11)6-10(7-9(2)12)13-4-3-5-14-10/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyOJENBYSJBUNODY-RKDXNWHRSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butan-2-ol
CID 593950
(1S)-2-[2-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1,3-dithian-2-yl]-1-(4-methylphenyl)ethanol
CID 135068812
2,2-bis(2,2-diethoxyethyl)-1,3-dithiane
CID 14197977
1-(1-aminocyclobutyl)propan-2-ol
CID 55284401
1-(1-aminocycloheptyl)propan-2-ol
CID 115013932
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
2,2-dimethyl-1,3-dithiane;2-methylpropane
CID 144926303
2-(2-methyl-1,3-dioxolan-2-yl)-1-(2-propan-2-yl-1,3-dithian-2-yl)ethanol
CID 10989993
(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 11015561
(1S)-1-(4-chlorophenyl)-2-[2-[(2S)-2-(4-chlorophenyl)-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 135068116
1-(1-ethylcyclobutyl)propan-2-ol
CID 126985384
1-(1-adamantyl)propan-2-ol
CID 5154050

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol (CID 135069547) is (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol is C[C@@H](O)CC1(C[C@@H](C)O)SCCCS1.
What is the InChIKey of (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The InChIKey is OJENBYSJBUNODY-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O2S2/c1-8(11)6-10(7-9(2)12)13-4-3-5-14-10/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol?
(2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol has a molecular weight of 236.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2R)-2-hydroxypropyl]-1,3-dithian-2-yl]propan-2-ol is sourced from PubChem (CID 135069547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).