2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane

C15H24O2S2 — CID 71714029

IUPAC2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane
SMILESC#C[C@@H](C)C1(CCOC2CCCCO2)SCCCS1
InChIInChI=1S/C15H24O2S2/c1-3-13(2)15(18-11-6-12-19-15)8-10-17-14-7-4-5-9-16-14/h1,13-14H,4-12H2,2H3/t13-,14?/m1/s1
InChIKeyAJORSOUVGRTXKP-KWCCSABGSA-N
MW300.49 g/mol
LogP3.76
Rot. Bonds5

About 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane

2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane (PubChem CID 71714029) has the molecular formula C15H24O2S2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane
PubChem CID71714029
Molecular FormulaC15H24O2S2
Molecular Weight300.49 g/mol
Exact Mass300.12
IUPAC Name2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane
SMILESC#C[C@@H](C)C1(CCOC2CCCCO2)SCCCS1
InChIInChI=1S/C15H24O2S2/c1-3-13(2)15(18-11-6-12-19-15)8-10-17-14-7-4-5-9-16-14/h1,13-14H,4-12H2,2H3/t13-,14?/m1/s1
InChIKeyAJORSOUVGRTXKP-KWCCSABGSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane (CID 71714029) is 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane is C#C[C@@H](C)C1(CCOC2CCCCO2)SCCCS1.
What is the InChIKey of 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane?
The InChIKey is AJORSOUVGRTXKP-KWCCSABGSA-N. The full InChI is InChI=1S/C15H24O2S2/c1-3-13(2)15(18-11-6-12-19-15)8-10-17-14-7-4-5-9-16-14/h1,13-14H,4-12H2,2H3/t13-,14?/m1/s1.
What are the key properties of 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane?
2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane has a molecular weight of 300.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2R)-but-3-yn-2-yl]-1,3-dithian-2-yl]ethoxy]oxane is sourced from PubChem (CID 71714029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).