2-oct-1-enylsulfanylethenol

C10H18OS — CID 151922279

IUPAC2-oct-1-enylsulfanylethenol
SMILESCCCCCCC=CSC=CO
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h7-11H,2-6H2,1H3
InChIKeySWZZCLXKHIFBGK-UHFFFAOYSA-N
MW186.32 g/mol
LogP4.23
Rot. Bonds7

About 2-oct-1-enylsulfanylethenol

2-oct-1-enylsulfanylethenol (PubChem CID 151922279) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-oct-1-enylsulfanylethenol.

Molecular Properties

Compound Name2-oct-1-enylsulfanylethenol
PubChem CID151922279
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-oct-1-enylsulfanylethenol
SMILESCCCCCCC=CSC=CO
InChIInChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h7-11H,2-6H2,1H3
InChIKeySWZZCLXKHIFBGK-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dec-1-enylsulfanyldec-1-ene
CID 174687639
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
1-methylsulfanyldodec-1-ene
CID 54454895
(Z)-1-methylsulfanyldodec-1-ene
CID 100956908
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
tetradeca-1,3-dien-1-ol
CID 73437176
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-enylsulfanylethenol?
The IUPAC name of 2-oct-1-enylsulfanylethenol (CID 151922279) is 2-oct-1-enylsulfanylethenol.
What is the SMILES notation for 2-oct-1-enylsulfanylethenol?
The canonical SMILES for 2-oct-1-enylsulfanylethenol is CCCCCCC=CSC=CO.
What is the InChIKey of 2-oct-1-enylsulfanylethenol?
The InChIKey is SWZZCLXKHIFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h7-11H,2-6H2,1H3.
What are the key properties of 2-oct-1-enylsulfanylethenol?
2-oct-1-enylsulfanylethenol has a molecular weight of 186.32 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-enylsulfanylethenol is sourced from PubChem (CID 151922279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).