6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one

C10H16O2 — CID 13336262

IUPAC6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C10H16O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6,8H,5H2,1-4H3
InChIKeyCNHRMHNDQSMEGZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds1

About 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one

6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one (PubChem CID 13336262) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one
PubChem CID13336262
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C10H16O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6,8H,5H2,1-4H3
InChIKeyCNHRMHNDQSMEGZ-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one (CID 13336262) is 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one is CCC1=C(C)C(=O)C(C)C(C)O1.
What is the InChIKey of 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one?
The InChIKey is CNHRMHNDQSMEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6,8H,5H2,1-4H3.
What are the key properties of 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one?
6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,5-trimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13336262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).