1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane

C18H38O2S2 — CID 71405848

IUPAC1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane
SMILESCCCCCCSCCOCCOCCSCCCCCC
InChIInChI=1S/C18H38O2S2/c1-3-5-7-9-15-21-17-13-19-11-12-20-14-18-22-16-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyNJOVBPOHZQTYNC-UHFFFAOYSA-N
MW350.63 g/mol
LogP5.65
Rot. Bonds19

About 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane

1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane (PubChem CID 71405848) has the molecular formula C18H38O2S2 and a molecular weight of 350.63 g/mol. Its IUPAC name is 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane.

Molecular Properties

Compound Name1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane
PubChem CID71405848
Molecular FormulaC18H38O2S2
Molecular Weight350.63 g/mol
Exact Mass350.23
IUPAC Name1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane
SMILESCCCCCCSCCOCCOCCSCCCCCC
InChIInChI=1S/C18H38O2S2/c1-3-5-7-9-15-21-17-13-19-11-12-20-14-18-22-16-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyNJOVBPOHZQTYNC-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 55.65
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

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(Hexylthio)propyl ether
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Bis(3-(dodecylthio)propyl)ether
CID 4681747
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfanyl]butane
CID 139212637
1-(2-(2-[2-(Octane-1-sulfinyl)-ethoxy]-ethoxy)-ethanesulfinyl)-octane
CID 537374
8-Methyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932813
8-Butyl-1,4-dioxa-7,10-dithiacyclododecane
CID 15932814
10,13,16-Trioxa-7,19-dithiapentacosane
CID 71405847
2-Hexylthio-1-(2-hexylthioethoxy)ethane
CID 4488106
1,4,7-Trioxa-10,16-dithiacyclooctadecane
CID 12626501
1-[2-(2-Decylsulfanylethoxy)ethylsulfanyl]decane
CID 19420252
O-(2-ethoxyethyl) hexylsulfanylmethanethioate
CID 19827506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane?
The IUPAC name of 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane (CID 71405848) is 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane.
What is the SMILES notation for 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane?
The canonical SMILES for 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane is CCCCCCSCCOCCOCCSCCCCCC.
What is the InChIKey of 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane?
The InChIKey is NJOVBPOHZQTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2S2/c1-3-5-7-9-15-21-17-13-19-11-12-20-14-18-22-16-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane?
1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane has a molecular weight of 350.63 g/mol, XLogP of 5.65, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane is sourced from PubChem (CID 71405848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).