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

C16H30O2S2 — CID 125479938

IUPAC(2R)-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-ZIAGYGMSSA-N
MW318.55 g/mol
LogP4.78
Rot. Bonds6

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

(2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane (PubChem CID 125479938) has the molecular formula C16H30O2S2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane
PubChem CID125479938
Molecular FormulaC16H30O2S2
Molecular Weight318.55 g/mol
Exact Mass318.17
IUPAC Name(2R)-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-ZIAGYGMSSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The IUPAC name of (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane (CID 125479938) is (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane.
What is the SMILES notation for (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The canonical SMILES for (2R)-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 (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
The InChIKey is WOHVSSSWJISFKP-ZIAGYGMSSA-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 (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane?
(2R)-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 (2R)-2-[(2R)-4-(1,3-dithian-2-yl)-2,4-dimethylpentoxy]oxane is sourced from PubChem (CID 125479938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).