2-(10-ethylsulfanyldecyl)oxane

C17H34OS — CID 23326782

IUPAC2-(10-ethylsulfanyldecyl)oxane
SMILESCCSCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C17H34OS/c1-2-19-16-12-8-6-4-3-5-7-9-13-17-14-10-11-15-18-17/h17H,2-16H2,1H3
InChIKeyOQIRCRPQAYLMPL-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.82
Rot. Bonds12

About 2-(10-ethylsulfanyldecyl)oxane

2-(10-ethylsulfanyldecyl)oxane (PubChem CID 23326782) has the molecular formula C17H34OS and a molecular weight of 286.52 g/mol. Its IUPAC name is 2-(10-ethylsulfanyldecyl)oxane.

Molecular Properties

Compound Name2-(10-ethylsulfanyldecyl)oxane
PubChem CID23326782
Molecular FormulaC17H34OS
Molecular Weight286.52 g/mol
Exact Mass286.23
IUPAC Name2-(10-ethylsulfanyldecyl)oxane
SMILESCCSCCCCCCCCCCC1CCCCO1
InChIInChI=1S/C17H34OS/c1-2-19-16-12-8-6-4-3-5-7-9-13-17-14-10-11-15-18-17/h17H,2-16H2,1H3
InChIKeyOQIRCRPQAYLMPL-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
2-[14-(3-methylbutylsulfanyl)tetradecyl]oxane
CID 23326719
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-tetradecyloxolane
CID 10683364
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
2-hexyloxolane;oxolane
CID 173130151
2-(6-butan-2-ylsulfanylhexyl)oxane;2-(6-cyclopentylsulfanylhexyl)oxolane
CID 20531622
2-[2-[6-(oxolan-2-yl)hexylsulfanyl]hexan-2-yl]oxane
CID 70456286
2-[7-methyl-6-[3-methyl-9-(oxan-2-yl)nonan-4-yl]sulfanylnonyl]oxane
CID 54258088
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560

Frequently Asked Questions

What is the IUPAC name of 2-(10-ethylsulfanyldecyl)oxane?
The IUPAC name of 2-(10-ethylsulfanyldecyl)oxane (CID 23326782) is 2-(10-ethylsulfanyldecyl)oxane.
What is the SMILES notation for 2-(10-ethylsulfanyldecyl)oxane?
The canonical SMILES for 2-(10-ethylsulfanyldecyl)oxane is CCSCCCCCCCCCCC1CCCCO1.
What is the InChIKey of 2-(10-ethylsulfanyldecyl)oxane?
The InChIKey is OQIRCRPQAYLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OS/c1-2-19-16-12-8-6-4-3-5-7-9-13-17-14-10-11-15-18-17/h17H,2-16H2,1H3.
What are the key properties of 2-(10-ethylsulfanyldecyl)oxane?
2-(10-ethylsulfanyldecyl)oxane has a molecular weight of 286.52 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-ethylsulfanyldecyl)oxane is sourced from PubChem (CID 23326782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).