2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane

C14H28O2S2 — CID 143080012

IUPAC2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane
SMILESCCCSCCCSCCCOC1CCCCO1
InChIInChI=1S/C14H28O2S2/c1-2-10-17-12-6-13-18-11-5-9-16-14-7-3-4-8-15-14/h14H,2-13H2,1H3
InChIKeyMZYJLPMQLQYKLB-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.19
Rot. Bonds11

About 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane

2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane (PubChem CID 143080012) has the molecular formula C14H28O2S2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane.

Molecular Properties

Compound Name2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane
PubChem CID143080012
Molecular FormulaC14H28O2S2
Molecular Weight292.51 g/mol
Exact Mass292.15
IUPAC Name2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane
SMILESCCCSCCCSCCCOC1CCCCO1
InChIInChI=1S/C14H28O2S2/c1-2-10-17-12-6-13-18-11-5-9-16-14-7-3-4-8-15-14/h14H,2-13H2,1H3
InChIKeyMZYJLPMQLQYKLB-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.19
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-Ethoxyethoxy)propyl][1,3]dithiane
CID 600786
2-[3-(1,3-Dithian-2-yl)propoxy]oxane
CID 11108152
2,2-Bis(2,2-dimethoxyethyl)-1,3-dithiane
CID 14197976
2-(2,2-Diethoxyethyl)-1,3-dithiane
CID 13192745
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
4-Methylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-dithiole-2-thione
CID 11121380
2-[2-(Thiiran-2-yl)ethoxy]oxane
CID 12015179
CID 134895223
CID 134895223
2-(4-Butylsulfanylbut-3-ynoxy)oxane
CID 135084908
2-(5-Butylsulfanylpent-4-ynoxy)oxane
CID 135085670
2,4,6-Triethyl-[1,3,5]dioxathiane, stereoisomer 1
CID 91750809

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane?
The IUPAC name of 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane (CID 143080012) is 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane.
What is the SMILES notation for 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane?
The canonical SMILES for 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane is CCCSCCCSCCCOC1CCCCO1.
What is the InChIKey of 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane?
The InChIKey is MZYJLPMQLQYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S2/c1-2-10-17-12-6-13-18-11-5-9-16-14-7-3-4-8-15-14/h14H,2-13H2,1H3.
What are the key properties of 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane?
2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane has a molecular weight of 292.51 g/mol, XLogP of 4.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-propylsulfanylpropylsulfanyl)propoxy]oxane is sourced from PubChem (CID 143080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).