4-ethylsulfanylhex-5-en-3-ol

C8H16OS — CID 12684198

IUPAC4-ethylsulfanylhex-5-en-3-ol
SMILESC=CC(SCC)C(O)CC
InChIInChI=1S/C8H16OS/c1-4-7(9)8(5-2)10-6-3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyZZICVSMJMBOEIT-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds5

About 4-ethylsulfanylhex-5-en-3-ol

4-ethylsulfanylhex-5-en-3-ol (PubChem CID 12684198) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-ethylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name4-ethylsulfanylhex-5-en-3-ol
PubChem CID12684198
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name4-ethylsulfanylhex-5-en-3-ol
SMILESC=CC(SCC)C(O)CC
InChIInChI=1S/C8H16OS/c1-4-7(9)8(5-2)10-6-3/h5,7-9H,2,4,6H2,1,3H3
InChIKeyZZICVSMJMBOEIT-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylhex-5-en-3-ol?
The IUPAC name of 4-ethylsulfanylhex-5-en-3-ol (CID 12684198) is 4-ethylsulfanylhex-5-en-3-ol.
What is the SMILES notation for 4-ethylsulfanylhex-5-en-3-ol?
The canonical SMILES for 4-ethylsulfanylhex-5-en-3-ol is C=CC(SCC)C(O)CC.
What is the InChIKey of 4-ethylsulfanylhex-5-en-3-ol?
The InChIKey is ZZICVSMJMBOEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-7(9)8(5-2)10-6-3/h5,7-9H,2,4,6H2,1,3H3.
What are the key properties of 4-ethylsulfanylhex-5-en-3-ol?
4-ethylsulfanylhex-5-en-3-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 12684198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).