2-ethoxy-6-ethylsulfonylhexan-3-one

C10H20O4S — CID 65097704

IUPAC2-ethoxy-6-ethylsulfonylhexan-3-one
SMILESCCOC(C)C(=O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9H,4-8H2,1-3H3
InChIKeyUYOSLDWSTGCKOL-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.20
Rot. Bonds8

About 2-ethoxy-6-ethylsulfonylhexan-3-one

2-ethoxy-6-ethylsulfonylhexan-3-one (PubChem CID 65097704) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-ethoxy-6-ethylsulfonylhexan-3-one.

Molecular Properties

Compound Name2-ethoxy-6-ethylsulfonylhexan-3-one
PubChem CID65097704
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name2-ethoxy-6-ethylsulfonylhexan-3-one
SMILESCCOC(C)C(=O)CCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9H,4-8H2,1-3H3
InChIKeyUYOSLDWSTGCKOL-UHFFFAOYSA-N
XLogP1.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-6-ethylsulfonylhexan-3-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

5-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-one
CID 103214136
5-Ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 103473833
6-(2-Propylsulfonylethoxy)hexan-2-one
CID 57994135
1-Methoxy-5-methylsulfonylpentan-2-one
CID 62319821
5-Ethylsulfonyl-1-methoxypentan-2-one
CID 62319823
4-Methylsulfonyl-1-propoxybutan-2-one
CID 62621762
1-Methoxy-6-methylsulfonylhexan-2-one
CID 63191671
5-Methylsulfonyl-1-propoxypentan-2-one
CID 63192566
2-Ethoxy-6-methylsulfonylhexan-3-one
CID 64539032
4-Ethoxy-1-methylsulfonylpentan-3-one
CID 64540465
1-(Oxan-4-ylsulfonyl)pentan-2-one
CID 64635282
6-(Oxan-4-ylsulfonyl)hexan-2-one
CID 64636789

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-one?
The IUPAC name of 2-ethoxy-6-ethylsulfonylhexan-3-one (CID 65097704) is 2-ethoxy-6-ethylsulfonylhexan-3-one.
What is the SMILES notation for 2-ethoxy-6-ethylsulfonylhexan-3-one?
The canonical SMILES for 2-ethoxy-6-ethylsulfonylhexan-3-one is CCOC(C)C(=O)CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethoxy-6-ethylsulfonylhexan-3-one?
The InChIKey is UYOSLDWSTGCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-4-14-9(3)10(11)7-6-8-15(12,13)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 2-ethoxy-6-ethylsulfonylhexan-3-one?
2-ethoxy-6-ethylsulfonylhexan-3-one has a molecular weight of 236.33 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-ethylsulfonylhexan-3-one is sourced from PubChem (CID 65097704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).