1-methylsulfonylnon-8-en-2-ol

C10H20O3S — CID 107012305

IUPAC1-methylsulfonylnon-8-en-2-ol
SMILESC=CCCCCCC(O)CS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-4-5-6-7-8-10(11)9-14(2,12)13/h3,10-11H,1,4-9H2,2H3
InChIKeyFTVIBHHLEIEREW-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.53
Rot. Bonds8

About 1-methylsulfonylnon-8-en-2-ol

1-methylsulfonylnon-8-en-2-ol (PubChem CID 107012305) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-methylsulfonylnon-8-en-2-ol.

Molecular Properties

Compound Name1-methylsulfonylnon-8-en-2-ol
PubChem CID107012305
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name1-methylsulfonylnon-8-en-2-ol
SMILESC=CCCCCCC(O)CS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-3-4-5-6-7-8-10(11)9-14(2,12)13/h3,10-11H,1,4-9H2,2H3
InChIKeyFTVIBHHLEIEREW-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-methylsulfonylnon-8-en-2-ol?
The IUPAC name of 1-methylsulfonylnon-8-en-2-ol (CID 107012305) is 1-methylsulfonylnon-8-en-2-ol.
What is the SMILES notation for 1-methylsulfonylnon-8-en-2-ol?
The canonical SMILES for 1-methylsulfonylnon-8-en-2-ol is C=CCCCCCC(O)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonylnon-8-en-2-ol?
The InChIKey is FTVIBHHLEIEREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-4-5-6-7-8-10(11)9-14(2,12)13/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-methylsulfonylnon-8-en-2-ol?
1-methylsulfonylnon-8-en-2-ol has a molecular weight of 220.33 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylnon-8-en-2-ol is sourced from PubChem (CID 107012305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).