6-ethylsulfonylhexanal

C8H16O3S — CID 65097360

IUPAC6-ethylsulfonylhexanal
SMILESCCS(=O)(=O)CCCCCC=O
InChIInChI=1S/C8H16O3S/c1-2-12(10,11)8-6-4-3-5-7-9/h7H,2-6,8H2,1H3
InChIKeyLQZLAFCSIZEEPB-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.18
Rot. Bonds7

About 6-ethylsulfonylhexanal

6-ethylsulfonylhexanal (PubChem CID 65097360) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 6-ethylsulfonylhexanal.

Molecular Properties

Compound Name6-ethylsulfonylhexanal
PubChem CID65097360
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name6-ethylsulfonylhexanal
SMILESCCS(=O)(=O)CCCCCC=O
InChIInChI=1S/C8H16O3S/c1-2-12(10,11)8-6-4-3-5-7-9/h7H,2-6,8H2,1H3
InChIKeyLQZLAFCSIZEEPB-UHFFFAOYSA-N
XLogP1.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018
methyl 20-oxoicosane-1-sulfonate
CID 22890276
pentadecanedial
CID 22887412
decanal;decane
CID 157361056
1-ethylsulfonylheptane
CID 19089519
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
ruthenium;tridecanal
CID 175429355

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonylhexanal?
The IUPAC name of 6-ethylsulfonylhexanal (CID 65097360) is 6-ethylsulfonylhexanal.
What is the SMILES notation for 6-ethylsulfonylhexanal?
The canonical SMILES for 6-ethylsulfonylhexanal is CCS(=O)(=O)CCCCCC=O.
What is the InChIKey of 6-ethylsulfonylhexanal?
The InChIKey is LQZLAFCSIZEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-2-12(10,11)8-6-4-3-5-7-9/h7H,2-6,8H2,1H3.
What are the key properties of 6-ethylsulfonylhexanal?
6-ethylsulfonylhexanal has a molecular weight of 192.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonylhexanal is sourced from PubChem (CID 65097360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).