(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane

C16H30O2S2 — CID 125479936

IUPAC(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
SMILESC[C@@H](CO[C@H]1CCCCO1)CC(C)(C)C1SCCCS1
InChIInChI=1S/C16H30O2S2/c1-13(12-18-14-7-4-5-8-17-14)11-16(2,3)15-19-9-6-10-20-15/h13-15H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyWOHVSSSWJISFKP-KGLIPLIRSA-N
MW318.55 g/mol
LogP4.78
Rot. Bonds6

About (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane

(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane (PubChem CID 125479936) has the molecular formula C16H30O2S2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane.

Molecular Properties

Compound Name(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
PubChem CID125479936
Molecular FormulaC16H30O2S2
Molecular Weight318.55 g/mol
Exact Mass318.17
IUPAC Name(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
SMILESC[C@@H](CO[C@H]1CCCCO1)CC(C)(C)C1SCCCS1
InChIInChI=1S/C16H30O2S2/c1-13(12-18-14-7-4-5-8-17-14)11-16(2,3)15-19-9-6-10-20-15/h13-15H,4-12H2,1-3H3/t13-,14+/m1/s1
InChIKeyWOHVSSSWJISFKP-KGLIPLIRSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane 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

2H-Pyran, 2,2'-[thiobis[(2,2-dimethyl-6,1-hexanediyl)oxy]]bis[tetrahydro-
CID 10072886
2-[1-[5,5-Dimethyl-1-(oxan-2-yloxy)hexyl]sulfanyl-5,5-dimethylhexoxy]oxane
CID 22743141
2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
CID 145656177
2-[(2S,3R)-4-(1,3-dithian-2-yl)-3-methylbutan-2-yl]oxyoxane
CID 25053176
2-[(2R,3R)-4-(1,3-dithian-2-yl)-3-methylbutan-2-yl]oxyoxane
CID 44614680
(2R)-2-[2-[2-(oxan-2-yloxy)ethyl]-1,3-dithian-2-yl]propan-1-ol
CID 71713877
2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane
CID 71714029
2-[4-(1,3-Dithian-2-yl)-4-methylpentoxy]oxane
CID 102312865
(2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
CID 125479938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The IUPAC name of (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane (CID 125479936) is (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane.
What is the SMILES notation for (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The canonical SMILES for (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane is C[C@@H](CO[C@H]1CCCCO1)CC(C)(C)C1SCCCS1.
What is the InChIKey of (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The InChIKey is WOHVSSSWJISFKP-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O2S2/c1-13(12-18-14-7-4-5-8-17-14)11-16(2,3)15-19-9-6-10-20-15/h13-15H,4-12H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
(2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane has a molecular weight of 318.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane is sourced from PubChem (CID 125479936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).