2-[5-(1,3-dithian-2-yl)pentoxy]oxane

C14H26O2S2 — CID 14172391

IUPAC2-[5-(1,3-dithian-2-yl)pentoxy]oxane
SMILESC(CCOC1CCCCO1)CCC1SCCCS1
InChIInChI=1S/C14H26O2S2/c1(2-8-14-17-11-6-12-18-14)4-9-15-13-7-3-5-10-16-13/h13-14H,1-12H2
InChIKeyNWFPHDKMAHVGCZ-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.29
Rot. Bonds7

About 2-[5-(1,3-dithian-2-yl)pentoxy]oxane

2-[5-(1,3-dithian-2-yl)pentoxy]oxane (PubChem CID 14172391) has the molecular formula C14H26O2S2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-[5-(1,3-dithian-2-yl)pentoxy]oxane.

Molecular Properties

Compound Name2-[5-(1,3-dithian-2-yl)pentoxy]oxane
PubChem CID14172391
Molecular FormulaC14H26O2S2
Molecular Weight290.49 g/mol
Exact Mass290.14
IUPAC Name2-[5-(1,3-dithian-2-yl)pentoxy]oxane
SMILESC(CCOC1CCCCO1)CCC1SCCCS1
InChIInChI=1S/C14H26O2S2/c1(2-8-14-17-11-6-12-18-14)4-9-15-13-7-3-5-10-16-13/h13-14H,1-12H2
InChIKeyNWFPHDKMAHVGCZ-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.29
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-[4-(1,3-Dithian-2-yl)butyl]-1,3-dioxane
CID 14247642
2-[10-(1,3-Dithian-2-yl)decoxy]oxane
CID 15685599
2-(4-(Thiiran-2-yl)butoxy)-tetrahydro-2h-pyran
CID 129707993
1,3-Dithiane, 2-[4-(1-ethoxyethoxy)butyl]
CID 576633
1,3-Dioxane, 2-[2-(1,3-dithian-2-yl)ethyl]-
CID 11806600
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 2-[5-(1,3-dithian-2-yl)pentoxy]oxane?
The IUPAC name of 2-[5-(1,3-dithian-2-yl)pentoxy]oxane (CID 14172391) is 2-[5-(1,3-dithian-2-yl)pentoxy]oxane.
What is the SMILES notation for 2-[5-(1,3-dithian-2-yl)pentoxy]oxane?
The canonical SMILES for 2-[5-(1,3-dithian-2-yl)pentoxy]oxane is C(CCOC1CCCCO1)CCC1SCCCS1.
What is the InChIKey of 2-[5-(1,3-dithian-2-yl)pentoxy]oxane?
The InChIKey is NWFPHDKMAHVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S2/c1(2-8-14-17-11-6-12-18-14)4-9-15-13-7-3-5-10-16-13/h13-14H,1-12H2.
What are the key properties of 2-[5-(1,3-dithian-2-yl)pentoxy]oxane?
2-[5-(1,3-dithian-2-yl)pentoxy]oxane has a molecular weight of 290.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dithian-2-yl)pentoxy]oxane is sourced from PubChem (CID 14172391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).