methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane

C13H26O3S — CID 159521376

IUPACmethane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
SMILESC.C1CCC(OCCSC2CCCOC2)OC1
InChIInChI=1S/C12H22O3S.CH4/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11;/h11-12H,1-10H2;1H4
InChIKeyMBVOPEJWMFTRJP-UHFFFAOYSA-N
MW262.41 g/mol
LogP3.08
Rot. Bonds5

About methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane

methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane (PubChem CID 159521376) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane.

Molecular Properties

Compound Namemethane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
PubChem CID159521376
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Namemethane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane
SMILESC.C1CCC(OCCSC2CCCOC2)OC1
InChIInChI=1S/C12H22O3S.CH4/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11;/h11-12H,1-10H2;1H4
InChIKeyMBVOPEJWMFTRJP-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,3-Dithian-2-yl)propoxy]oxane
CID 11108152
1,3-Dithiane, 2-[4-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
CID 10869564
2-[4-(1,3-Dithiolan-2-yl)butoxy]oxane
CID 10978289
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
1,3-Dithiane, 2-[4-(1-ethoxyethoxy)butyl]
CID 576633
S-[5-(oxan-2-yloxy)pentyl] ethanethioate
CID 15086512
Tetrahydropyran-2-yl 2-[(tetrahydropyran-2-yl)thio]ethyl ether
CID 15238320
2-[2-[2-[2-(Oxan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
CID 20633389
2-[2-[3-[2-(Oxan-2-yloxy)ethylsulfanyl]propylsulfanyl]ethoxy]oxane
CID 20633391
2-[3-[3-[3-(Oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
The IUPAC name of methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane (CID 159521376) is methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane.
What is the SMILES notation for methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
The canonical SMILES for methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane is C.C1CCC(OCCSC2CCCOC2)OC1.
What is the InChIKey of methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
The InChIKey is MBVOPEJWMFTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S.CH4/c1-2-7-14-12(5-1)15-8-9-16-11-4-3-6-13-10-11;/h11-12H,1-10H2;1H4.
What are the key properties of methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane?
methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane has a molecular weight of 262.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-(oxan-3-ylsulfanyl)ethoxy]oxane is sourced from PubChem (CID 159521376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).