2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane

C16H30O3S2 — CID 139967601

IUPAC2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane
SMILESCCCCCC(SOSC(CCCCC)C1CO1)C1CO1
InChIInChI=1S/C16H30O3S2/c1-3-5-7-9-15(13-11-17-13)20-19-21-16(14-12-18-14)10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyXWQFPJODIKDVAA-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.99
Rot. Bonds14

About 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane

2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane (PubChem CID 139967601) has the molecular formula C16H30O3S2 and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane.

Molecular Properties

Compound Name2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane
PubChem CID139967601
Molecular FormulaC16H30O3S2
Molecular Weight334.55 g/mol
Exact Mass334.16
IUPAC Name2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane
SMILESCCCCCC(SOSC(CCCCC)C1CO1)C1CO1
InChIInChI=1S/C16H30O3S2/c1-3-5-7-9-15(13-11-17-13)20-19-21-16(14-12-18-14)10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyXWQFPJODIKDVAA-UHFFFAOYSA-N
XLogP4.99
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-(oxiran-2-yl)hexadecylsulfanyloxysulfanyl]hexadecyl]oxirane
CID 139967599
2-[1-[1-(oxiran-2-yl)undecylsulfanyloxysulfanyl]undecyl]oxirane
CID 139817185
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
2-(1-fluoroheptyl)oxirane
CID 57127668
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
2-(1-tetradecoxyicosyl)oxirane
CID 88767792
2-(1-fluorohexyl)oxirane;oxetane
CID 21411185
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[butoxy(oxiran-2-yl)methyl]oxirane
CID 146313335
2-[1-[1-(oxetan-2-yl)heptoxy]heptyl]oxetane
CID 68619255

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane?
The IUPAC name of 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane (CID 139967601) is 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane.
What is the SMILES notation for 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane?
The canonical SMILES for 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane is CCCCCC(SOSC(CCCCC)C1CO1)C1CO1.
What is the InChIKey of 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane?
The InChIKey is XWQFPJODIKDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3S2/c1-3-5-7-9-15(13-11-17-13)20-19-21-16(14-12-18-14)10-8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane?
2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane has a molecular weight of 334.55 g/mol, XLogP of 4.99, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(oxiran-2-yl)hexylsulfanyloxysulfanyl]hexyl]oxirane is sourced from PubChem (CID 139967601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).