lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone

C9H9LiO5S — CID 175437186

IUPAClithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone
SMILESO=[C-]c1ccc(S(=O)(=O)CC2COC2)o1.[Li+]
InChIInChI=1S/C9H9O5S.Li/c10-3-8-1-2-9(14-8)15(11,12)6-7-4-13-5-7;/h1-2,7H,4-6H2;/q-1;+1
InChIKeyOVFAINZBOLFYGJ-UHFFFAOYSA-N
MW236.17 g/mol
LogP-2.84
Rot. Bonds4

About lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone

lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone (PubChem CID 175437186) has the molecular formula C9H9LiO5S and a molecular weight of 236.17 g/mol. Its IUPAC name is lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone.

Molecular Properties

Compound Namelithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone
PubChem CID175437186
Molecular FormulaC9H9LiO5S
Molecular Weight236.17 g/mol
Exact Mass236.03
IUPAC Namelithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone
SMILESO=[C-]c1ccc(S(=O)(=O)CC2COC2)o1.[Li+]
InChIInChI=1S/C9H9O5S.Li/c10-3-8-1-2-9(14-8)15(11,12)6-7-4-13-5-7;/h1-2,7H,4-6H2;/q-1;+1
InChIKeyOVFAINZBOLFYGJ-UHFFFAOYSA-N
XLogP-2.84
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Benzenesulfonyl)furan-2-carbaldehyde
CID 676852
5-Methanesulfonyl-furan-2-carbaldehyde
CID 53984844
3-Methanesulfonyl-2-methylfuran
CID 59742705
1-(2-Furyl)-2-(phenylsulfonyl)ethanone
CID 11218904
4-Methanesulfonylfuran-2-carbaldehyde
CID 82411501
4-Methanesulfonyl-5-methylfuran-2-carbaldehyde
CID 131340860
2-Furancarboxaldehyde, 5-(ethylthio)-
CID 49756908
Lithium 5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-carboxylate
CID 163379173
Lithium;[5-[(3,3-difluorocyclobutyl)methylsulfonyl]furan-2-yl]methanone;hydroxide
CID 169053976
5-[(3,3-Difluorocyclobutyl)methylsulfonyl]furan-2-carbaldehyde
CID 169053977
Propyl 2-(5-methylfuryl) sulfoxide
CID 13929282
Allyl 2-(5-methylfuryl) sulfoxide
CID 13929283

Frequently Asked Questions

What is the IUPAC name of lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone?
The IUPAC name of lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone (CID 175437186) is lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone.
What is the SMILES notation for lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone?
The canonical SMILES for lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone is O=[C-]c1ccc(S(=O)(=O)CC2COC2)o1.[Li+].
What is the InChIKey of lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone?
The InChIKey is OVFAINZBOLFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O5S.Li/c10-3-8-1-2-9(14-8)15(11,12)6-7-4-13-5-7;/h1-2,7H,4-6H2;/q-1;+1.
What are the key properties of lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone?
lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone has a molecular weight of 236.17 g/mol, XLogP of -2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [5-(oxetan-3-ylmethylsulfonyl)furan-2-yl]methanone is sourced from PubChem (CID 175437186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).