4-butyl-5-ethyl-3,4-dihydropyran-2-one

C11H18O2 — CID 172636070

IUPAC4-butyl-5-ethyl-3,4-dihydropyran-2-one
SMILESCCCCC1CC(=O)OC=C1CC
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)13-8-9(10)4-2/h8,10H,3-7H2,1-2H3
InChIKeyYRTBJFCNBAHUCN-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds4

About 4-butyl-5-ethyl-3,4-dihydropyran-2-one

4-butyl-5-ethyl-3,4-dihydropyran-2-one (PubChem CID 172636070) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-butyl-5-ethyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name4-butyl-5-ethyl-3,4-dihydropyran-2-one
PubChem CID172636070
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-butyl-5-ethyl-3,4-dihydropyran-2-one
SMILESCCCCC1CC(=O)OC=C1CC
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)13-8-9(10)4-2/h8,10H,3-7H2,1-2H3
InChIKeyYRTBJFCNBAHUCN-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-3,4-dihydropyran-2-one?
The IUPAC name of 4-butyl-5-ethyl-3,4-dihydropyran-2-one (CID 172636070) is 4-butyl-5-ethyl-3,4-dihydropyran-2-one.
What is the SMILES notation for 4-butyl-5-ethyl-3,4-dihydropyran-2-one?
The canonical SMILES for 4-butyl-5-ethyl-3,4-dihydropyran-2-one is CCCCC1CC(=O)OC=C1CC.
What is the InChIKey of 4-butyl-5-ethyl-3,4-dihydropyran-2-one?
The InChIKey is YRTBJFCNBAHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)13-8-9(10)4-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-butyl-5-ethyl-3,4-dihydropyran-2-one?
4-butyl-5-ethyl-3,4-dihydropyran-2-one has a molecular weight of 182.26 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 172636070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).