1-ethylsulfanylhex-5-en-2-ol

C8H16OS — CID 65130744

IUPAC1-ethylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSCC
InChIInChI=1S/C8H16OS/c1-3-5-6-8(9)7-10-4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyZYCPTSHCEFMYDT-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds6

About 1-ethylsulfanylhex-5-en-2-ol

1-ethylsulfanylhex-5-en-2-ol (PubChem CID 65130744) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethylsulfanylhex-5-en-2-ol.

Molecular Properties

Compound Name1-ethylsulfanylhex-5-en-2-ol
PubChem CID65130744
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-ethylsulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CSCC
InChIInChI=1S/C8H16OS/c1-3-5-6-8(9)7-10-4-2/h3,8-9H,1,4-7H2,2H3
InChIKeyZYCPTSHCEFMYDT-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 1-ethylsulfanylhex-5-en-2-ol?
The IUPAC name of 1-ethylsulfanylhex-5-en-2-ol (CID 65130744) is 1-ethylsulfanylhex-5-en-2-ol.
What is the SMILES notation for 1-ethylsulfanylhex-5-en-2-ol?
The canonical SMILES for 1-ethylsulfanylhex-5-en-2-ol is C=CCCC(O)CSCC.
What is the InChIKey of 1-ethylsulfanylhex-5-en-2-ol?
The InChIKey is ZYCPTSHCEFMYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-5-6-8(9)7-10-4-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethylsulfanylhex-5-en-2-ol?
1-ethylsulfanylhex-5-en-2-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylhex-5-en-2-ol is sourced from PubChem (CID 65130744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).