[(E)-oct-3-enyl]sulfinylmethanol

C9H18O2S — CID 21323072

IUPAC[(E)-oct-3-enyl]sulfinylmethanol
SMILESCCCC/C=C/CCS(=O)CO
InChIInChI=1S/C9H18O2S/c1-2-3-4-5-6-7-8-12(11)9-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKeyHKWWCFTUTQDYET-AATRIKPKSA-N
MW190.31 g/mol
LogP1.82
Rot. Bonds7

About [(E)-oct-3-enyl]sulfinylmethanol

[(E)-oct-3-enyl]sulfinylmethanol (PubChem CID 21323072) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is [(E)-oct-3-enyl]sulfinylmethanol.

Molecular Properties

Compound Name[(E)-oct-3-enyl]sulfinylmethanol
PubChem CID21323072
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name[(E)-oct-3-enyl]sulfinylmethanol
SMILESCCCC/C=C/CCS(=O)CO
InChIInChI=1S/C9H18O2S/c1-2-3-4-5-6-7-8-12(11)9-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+
InChIKeyHKWWCFTUTQDYET-AATRIKPKSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.82
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 [(E)-oct-3-enyl]sulfinylmethanol?
The IUPAC name of [(E)-oct-3-enyl]sulfinylmethanol (CID 21323072) is [(E)-oct-3-enyl]sulfinylmethanol.
What is the SMILES notation for [(E)-oct-3-enyl]sulfinylmethanol?
The canonical SMILES for [(E)-oct-3-enyl]sulfinylmethanol is CCCC/C=C/CCS(=O)CO.
What is the InChIKey of [(E)-oct-3-enyl]sulfinylmethanol?
The InChIKey is HKWWCFTUTQDYET-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18O2S/c1-2-3-4-5-6-7-8-12(11)9-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+.
What are the key properties of [(E)-oct-3-enyl]sulfinylmethanol?
[(E)-oct-3-enyl]sulfinylmethanol has a molecular weight of 190.31 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-3-enyl]sulfinylmethanol is sourced from PubChem (CID 21323072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).