1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol

C14H28O2S2 — CID 66831435

IUPAC1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol
SMILESCC(O)SCCC1CCCC(CCSC(C)O)C1
InChIInChI=1S/C14H28O2S2/c1-11(15)17-8-6-13-4-3-5-14(10-13)7-9-18-12(2)16/h11-16H,3-10H2,1-2H3
InChIKeyUMRLNFUQSMRASQ-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.72
Rot. Bonds8

About 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol

1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol (PubChem CID 66831435) has the molecular formula C14H28O2S2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol.

Molecular Properties

Compound Name1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol
PubChem CID66831435
Molecular FormulaC14H28O2S2
Molecular Weight292.51 g/mol
Exact Mass292.15
IUPAC Name1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol
SMILESCC(O)SCCC1CCCC(CCSC(C)O)C1
InChIInChI=1S/C14H28O2S2/c1-11(15)17-8-6-13-4-3-5-14(10-13)7-9-18-12(2)16/h11-16H,3-10H2,1-2H3
InChIKeyUMRLNFUQSMRASQ-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol?
The IUPAC name of 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol (CID 66831435) is 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol.
What is the SMILES notation for 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol?
The canonical SMILES for 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol is CC(O)SCCC1CCCC(CCSC(C)O)C1.
What is the InChIKey of 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol?
The InChIKey is UMRLNFUQSMRASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2S2/c1-11(15)17-8-6-13-4-3-5-14(10-13)7-9-18-12(2)16/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol?
1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol has a molecular weight of 292.51 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(1-hydroxyethylsulfanyl)ethyl]cyclohexyl]ethylsulfanyl]ethanol is sourced from PubChem (CID 66831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).