7-methyl-1-methylsulfonyloctan-4-one

C10H20O3S — CID 63192440

IUPAC7-methyl-1-methylsulfonyloctan-4-one
SMILESCC(C)CCC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-9(2)6-7-10(11)5-4-8-14(3,12)13/h9H,4-8H2,1-3H3
InChIKeyMOMFUVJNHFLWFA-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.82
Rot. Bonds7

About 7-methyl-1-methylsulfonyloctan-4-one

7-methyl-1-methylsulfonyloctan-4-one (PubChem CID 63192440) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 7-methyl-1-methylsulfonyloctan-4-one.

Molecular Properties

Compound Name7-methyl-1-methylsulfonyloctan-4-one
PubChem CID63192440
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name7-methyl-1-methylsulfonyloctan-4-one
SMILESCC(C)CCC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C10H20O3S/c1-9(2)6-7-10(11)5-4-8-14(3,12)13/h9H,4-8H2,1-3H3
InChIKeyMOMFUVJNHFLWFA-UHFFFAOYSA-N
XLogP1.82
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-1-methylsulfonyloctan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-1-methylsulfonylheptan-4-one
CID 63192162
1-bromo-7-methyloctan-4-one
CID 106798810
1-[di(propan-2-yl)amino]-7-methyloctan-4-one
CID 161012016
1-(dimethylamino)-6-methylsulfonylhexan-3-one
CID 115345724
2,8,9-trimethyldecan-5-one
CID 162772851
2-methyltetradecan-5-one
CID 19931308
3-methyl-1-methylsulfonylbutane
CID 20712453
7-methyl-1-methylsulfonyloctan-4-ol
CID 63192258
6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
13-methyl-1-(2-propan-2-ylsulfonylethylsulfanyl)tetradecane-4,10-dione
CID 159028001
2,16-dimethylheptadecan-6-one
CID 158111781
3-methyl-6-methylsulfonylhexan-2-one
CID 63191488

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-methylsulfonyloctan-4-one?
The IUPAC name of 7-methyl-1-methylsulfonyloctan-4-one (CID 63192440) is 7-methyl-1-methylsulfonyloctan-4-one.
What is the SMILES notation for 7-methyl-1-methylsulfonyloctan-4-one?
The canonical SMILES for 7-methyl-1-methylsulfonyloctan-4-one is CC(C)CCC(=O)CCCS(C)(=O)=O.
What is the InChIKey of 7-methyl-1-methylsulfonyloctan-4-one?
The InChIKey is MOMFUVJNHFLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-9(2)6-7-10(11)5-4-8-14(3,12)13/h9H,4-8H2,1-3H3.
What are the key properties of 7-methyl-1-methylsulfonyloctan-4-one?
7-methyl-1-methylsulfonyloctan-4-one has a molecular weight of 220.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-methylsulfonyloctan-4-one is sourced from PubChem (CID 63192440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).