5-ethylsulfanylpentan-1-ol

C7H16OS — CID 554416

IUPAC5-ethylsulfanylpentan-1-ol
SMILESCCSCCCCCO
InChIInChI=1S/C7H16OS/c1-2-9-7-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyFIXXJRDECLSOPJ-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds6

About 5-ethylsulfanylpentan-1-ol

5-ethylsulfanylpentan-1-ol (PubChem CID 554416) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 5-ethylsulfanylpentan-1-ol.

Molecular Properties

Compound Name5-ethylsulfanylpentan-1-ol
PubChem CID554416
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name5-ethylsulfanylpentan-1-ol
SMILESCCSCCCCCO
InChIInChI=1S/C7H16OS/c1-2-9-7-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyFIXXJRDECLSOPJ-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanylpentan-1-ol?
The IUPAC name of 5-ethylsulfanylpentan-1-ol (CID 554416) is 5-ethylsulfanylpentan-1-ol.
What is the SMILES notation for 5-ethylsulfanylpentan-1-ol?
The canonical SMILES for 5-ethylsulfanylpentan-1-ol is CCSCCCCCO.
What is the InChIKey of 5-ethylsulfanylpentan-1-ol?
The InChIKey is FIXXJRDECLSOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-2-9-7-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 5-ethylsulfanylpentan-1-ol?
5-ethylsulfanylpentan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanylpentan-1-ol is sourced from PubChem (CID 554416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).