(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone

C14H24O4S — CID 114106574

IUPAC(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone
SMILESCCC1OCCC1C(=O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H24O4S/c1-3-13-12(7-8-18-13)14(15)10-5-4-6-11(9-10)19(2,16)17/h10-13H,3-9H2,1-2H3
InChIKeyLKIBVMPVZLXQOY-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.97
Rot. Bonds4

About (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone

(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone (PubChem CID 114106574) has the molecular formula C14H24O4S and a molecular weight of 288.41 g/mol. Its IUPAC name is (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone
PubChem CID114106574
Molecular FormulaC14H24O4S
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone
SMILESCCC1OCCC1C(=O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H24O4S/c1-3-13-12(7-8-18-13)14(15)10-5-4-6-11(9-10)19(2,16)17/h10-13H,3-9H2,1-2H3
InChIKeyLKIBVMPVZLXQOY-UHFFFAOYSA-N
XLogP1.97
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone?
The IUPAC name of (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone (CID 114106574) is (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone.
What is the SMILES notation for (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone?
The canonical SMILES for (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone is CCC1OCCC1C(=O)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone?
The InChIKey is LKIBVMPVZLXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S/c1-3-13-12(7-8-18-13)14(15)10-5-4-6-11(9-10)19(2,16)17/h10-13H,3-9H2,1-2H3.
What are the key properties of (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone?
(2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone has a molecular weight of 288.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxolan-3-yl)-(3-methylsulfonylcyclohexyl)methanone is sourced from PubChem (CID 114106574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).