2-(2-ethynylsulfanylethoxy)oxane

C9H14O2S — CID 11126997

IUPAC2-(2-ethynylsulfanylethoxy)oxane
SMILESC#CSCCOC1CCCCO1
InChIInChI=1S/C9H14O2S/c1-2-12-8-7-11-9-5-3-4-6-10-9/h1,9H,3-8H2
InChIKeyGURZAPVSLLQXQD-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-ethynylsulfanylethoxy)oxane

2-(2-ethynylsulfanylethoxy)oxane (PubChem CID 11126997) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(2-ethynylsulfanylethoxy)oxane.

Molecular Properties

Compound Name2-(2-ethynylsulfanylethoxy)oxane
PubChem CID11126997
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-(2-ethynylsulfanylethoxy)oxane
SMILESC#CSCCOC1CCCCO1
InChIInChI=1S/C9H14O2S/c1-2-12-8-7-11-9-5-3-4-6-10-9/h1,9H,3-8H2
InChIKeyGURZAPVSLLQXQD-UHFFFAOYSA-N
XLogP1.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Tetrahydro-pyran-2-yloxy)-ethanethiol
CID 14411018
2-[2-(Trifluoromethylsulfanyl)ethoxy]oxane
CID 162411437
2-(3-Thietanyloxy)tetrahydro-2H-pyran
CID 373715
2-[2-(Thiiran-2-yl)ethoxy]oxane
CID 12015179
2-(4-Butylsulfanylbut-3-ynoxy)oxane
CID 135084908
2-(5-Butylsulfanylpent-4-ynoxy)oxane
CID 135085670
(2R)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
CID 125483446
(2S)-2-[2-(trifluoromethylsulfanyl)ethoxy]oxane
CID 125483449
5-[5-(Oxan-2-yloxy)pentoxy]pentane-1-thiol
CID 19901107
3-(Oxan-2-yloxy)propane-1-thiol
CID 57429252
2-(2-Propan-2-ylsulfanylethoxy)oxane
CID 59460174
2-(2-Methylsulfanylethoxy)oxane
CID 89031036

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylsulfanylethoxy)oxane?
The IUPAC name of 2-(2-ethynylsulfanylethoxy)oxane (CID 11126997) is 2-(2-ethynylsulfanylethoxy)oxane.
What is the SMILES notation for 2-(2-ethynylsulfanylethoxy)oxane?
The canonical SMILES for 2-(2-ethynylsulfanylethoxy)oxane is C#CSCCOC1CCCCO1.
What is the InChIKey of 2-(2-ethynylsulfanylethoxy)oxane?
The InChIKey is GURZAPVSLLQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-2-12-8-7-11-9-5-3-4-6-10-9/h1,9H,3-8H2.
What are the key properties of 2-(2-ethynylsulfanylethoxy)oxane?
2-(2-ethynylsulfanylethoxy)oxane has a molecular weight of 186.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylsulfanylethoxy)oxane is sourced from PubChem (CID 11126997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).