4-methyl-1-methylsulfonyloct-7-en-4-ol

C10H20O3S — CID 104656170

IUPAC4-methyl-1-methylsulfonyloct-7-en-4-ol
SMILESC=CCCC(C)(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-4-5-7-10(2,11)8-6-9-14(3,12)13/h4,11H,1,5-9H2,2-3H3
InChIKeyNFKCUHXFCBYNAD-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.53
Rot. Bonds7

About 4-methyl-1-methylsulfonyloct-7-en-4-ol

4-methyl-1-methylsulfonyloct-7-en-4-ol (PubChem CID 104656170) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyloct-7-en-4-ol.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyloct-7-en-4-ol
PubChem CID104656170
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-methyl-1-methylsulfonyloct-7-en-4-ol
SMILESC=CCCC(C)(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-4-5-7-10(2,11)8-6-9-14(3,12)13/h4,11H,1,5-9H2,2-3H3
InChIKeyNFKCUHXFCBYNAD-UHFFFAOYSA-N
XLogP1.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyloct-7-en-4-ol?
The IUPAC name of 4-methyl-1-methylsulfonyloct-7-en-4-ol (CID 104656170) is 4-methyl-1-methylsulfonyloct-7-en-4-ol.
What is the SMILES notation for 4-methyl-1-methylsulfonyloct-7-en-4-ol?
The canonical SMILES for 4-methyl-1-methylsulfonyloct-7-en-4-ol is C=CCCC(C)(O)CCCS(C)(=O)=O.
What is the InChIKey of 4-methyl-1-methylsulfonyloct-7-en-4-ol?
The InChIKey is NFKCUHXFCBYNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-4-5-7-10(2,11)8-6-9-14(3,12)13/h4,11H,1,5-9H2,2-3H3.
What are the key properties of 4-methyl-1-methylsulfonyloct-7-en-4-ol?
4-methyl-1-methylsulfonyloct-7-en-4-ol has a molecular weight of 220.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyloct-7-en-4-ol is sourced from PubChem (CID 104656170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).