5-ethylsulfanylpent-1-en-3-ol

C7H14OS — CID 116504596

IUPAC5-ethylsulfanylpent-1-en-3-ol
SMILESC=CC(O)CCSCC
InChIInChI=1S/C7H14OS/c1-3-7(8)5-6-9-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyQCMSBRRGRWAOFN-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds5

About 5-ethylsulfanylpent-1-en-3-ol

5-ethylsulfanylpent-1-en-3-ol (PubChem CID 116504596) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 5-ethylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name5-ethylsulfanylpent-1-en-3-ol
PubChem CID116504596
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name5-ethylsulfanylpent-1-en-3-ol
SMILESC=CC(O)CCSCC
InChIInChI=1S/C7H14OS/c1-3-7(8)5-6-9-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyQCMSBRRGRWAOFN-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanylpent-1-en-3-ol?
The IUPAC name of 5-ethylsulfanylpent-1-en-3-ol (CID 116504596) is 5-ethylsulfanylpent-1-en-3-ol.
What is the SMILES notation for 5-ethylsulfanylpent-1-en-3-ol?
The canonical SMILES for 5-ethylsulfanylpent-1-en-3-ol is C=CC(O)CCSCC.
What is the InChIKey of 5-ethylsulfanylpent-1-en-3-ol?
The InChIKey is QCMSBRRGRWAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7(8)5-6-9-4-2/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5-ethylsulfanylpent-1-en-3-ol?
5-ethylsulfanylpent-1-en-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 116504596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).