4-methylidene-1-methylsulfonylhexan-2-ol

C8H16O3S — CID 115650245

IUPAC4-methylidene-1-methylsulfonylhexan-2-ol
SMILESC=C(CC)CC(O)CS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-4-7(2)5-8(9)6-12(3,10)11/h8-9H,2,4-6H2,1,3H3
InChIKeyAUOJKWJPRJMEHD-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.75
Rot. Bonds5

About 4-methylidene-1-methylsulfonylhexan-2-ol

4-methylidene-1-methylsulfonylhexan-2-ol (PubChem CID 115650245) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-methylidene-1-methylsulfonylhexan-2-ol.

Molecular Properties

Compound Name4-methylidene-1-methylsulfonylhexan-2-ol
PubChem CID115650245
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name4-methylidene-1-methylsulfonylhexan-2-ol
SMILESC=C(CC)CC(O)CS(C)(=O)=O
InChIInChI=1S/C8H16O3S/c1-4-7(2)5-8(9)6-12(3,10)11/h8-9H,2,4-6H2,1,3H3
InChIKeyAUOJKWJPRJMEHD-UHFFFAOYSA-N
XLogP0.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methylidene-1-methylsulfonylhexan-2-ol 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

(5R)-3-methylidenedecan-5-ol
CID 118281319
3-methylidenetetradecan-5-ol
CID 115817490
3-methyl-1-methylsulfonylbut-3-en-2-ol
CID 115817465
1-ethoxy-4-methylidenehexan-2-ol
CID 66046480
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
1-(dimethylamino)-5-methylideneheptan-3-ol
CID 115346042
1-cyclopropyl-3-methylsulfonylpropan-2-ol
CID 112692656
1-methylsulfonylhex-4-yn-2-ol
CID 115601028
1-amino-2-methylsulfonylethanol
CID 151548996
1-(2-methylpropylamino)-3-methylsulfonylpropan-2-ol
CID 115476733
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735
3-methyl-6-methylideneoctan-4-ol
CID 66045779

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-methylsulfonylhexan-2-ol?
The IUPAC name of 4-methylidene-1-methylsulfonylhexan-2-ol (CID 115650245) is 4-methylidene-1-methylsulfonylhexan-2-ol.
What is the SMILES notation for 4-methylidene-1-methylsulfonylhexan-2-ol?
The canonical SMILES for 4-methylidene-1-methylsulfonylhexan-2-ol is C=C(CC)CC(O)CS(C)(=O)=O.
What is the InChIKey of 4-methylidene-1-methylsulfonylhexan-2-ol?
The InChIKey is AUOJKWJPRJMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-4-7(2)5-8(9)6-12(3,10)11/h8-9H,2,4-6H2,1,3H3.
What are the key properties of 4-methylidene-1-methylsulfonylhexan-2-ol?
4-methylidene-1-methylsulfonylhexan-2-ol has a molecular weight of 192.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-methylsulfonylhexan-2-ol is sourced from PubChem (CID 115650245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).