4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one

C10H18O3S — CID 65420809

IUPAC4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CC1C
InChIInChI=1S/C10H18O3S/c1-3-14(12,13)6-4-5-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyOPPBWUCGUHIVTI-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.43
Rot. Bonds6

About 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one

4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one (PubChem CID 65420809) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
PubChem CID65420809
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CC1C
InChIInChI=1S/C10H18O3S/c1-3-14(12,13)6-4-5-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyOPPBWUCGUHIVTI-UHFFFAOYSA-N
XLogP1.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one?
The IUPAC name of 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one (CID 65420809) is 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one is CCS(=O)(=O)CCCC(=O)C1CC1C.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one?
The InChIKey is OPPBWUCGUHIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-3-14(12,13)6-4-5-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one?
4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one has a molecular weight of 218.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one is sourced from PubChem (CID 65420809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).