2-methyl-2-methylsulfonyloct-7-en-3-ol

C10H20O3S — CID 115804231

IUPAC2-methyl-2-methylsulfonyloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9,11H,1,6-8H2,2-4H3
InChIKeyQWGXGLNLGAWECD-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-2-methylsulfonyloct-7-en-3-ol

2-methyl-2-methylsulfonyloct-7-en-3-ol (PubChem CID 115804231) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyloct-7-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyloct-7-en-3-ol
PubChem CID115804231
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name2-methyl-2-methylsulfonyloct-7-en-3-ol
SMILESC=CCCCC(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9,11H,1,6-8H2,2-4H3
InChIKeyQWGXGLNLGAWECD-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2-methyl-2-methylsulfonyloct-7-en-3-ol?
The IUPAC name of 2-methyl-2-methylsulfonyloct-7-en-3-ol (CID 115804231) is 2-methyl-2-methylsulfonyloct-7-en-3-ol.
What is the SMILES notation for 2-methyl-2-methylsulfonyloct-7-en-3-ol?
The canonical SMILES for 2-methyl-2-methylsulfonyloct-7-en-3-ol is C=CCCCC(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyloct-7-en-3-ol?
The InChIKey is QWGXGLNLGAWECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-5-6-7-8-9(11)10(2,3)14(4,12)13/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 2-methyl-2-methylsulfonyloct-7-en-3-ol?
2-methyl-2-methylsulfonyloct-7-en-3-ol has a molecular weight of 220.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyloct-7-en-3-ol is sourced from PubChem (CID 115804231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).