5-ethylidene-3,6,6-trimethylpyran-2-one

C10H14O2 — CID 162968355

IUPAC5-ethylidene-3,6,6-trimethylpyran-2-one
SMILESCC=C1C=C(C)C(=O)OC1(C)C
InChIInChI=1S/C10H14O2/c1-5-8-6-7(2)9(11)12-10(8,3)4/h5-6H,1-4H3
InChIKeyOFOTZVNSRRCRCX-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds

About 5-ethylidene-3,6,6-trimethylpyran-2-one

5-ethylidene-3,6,6-trimethylpyran-2-one (PubChem CID 162968355) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-ethylidene-3,6,6-trimethylpyran-2-one.

Molecular Properties

Compound Name5-ethylidene-3,6,6-trimethylpyran-2-one
PubChem CID162968355
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-ethylidene-3,6,6-trimethylpyran-2-one
SMILESCC=C1C=C(C)C(=O)OC1(C)C
InChIInChI=1S/C10H14O2/c1-5-8-6-7(2)9(11)12-10(8,3)4/h5-6H,1-4H3
InChIKeyOFOTZVNSRRCRCX-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nocapyrone F
CID 53345950
4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
(2S,3S)-2-[(1E,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 137650531
4-Ethyl-6-methylpyran-2-one
CID 13758628
4-deoxyphomapyrone C
CID 132521548
4-deoxy-11-methylphomapyrone C
CID 134148121
11-O-tert-butyl 1-O-methyl (2E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,6,8-trienedioate
CID 11002152
Gibepyrone A
CID 10103478
3-Methyl-6-pent-2-en-2-ylpyran-2-one
CID 76018278
methyl 6,6-dimethyl-5,6-dihydro-2H-pyran-3-carboxylate
CID 118902469
5-methylidene-6-[(E)-pent-1-enyl]pyran-2-one
CID 25187961
5-methylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-2-one
CID 25187964

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-3,6,6-trimethylpyran-2-one?
The IUPAC name of 5-ethylidene-3,6,6-trimethylpyran-2-one (CID 162968355) is 5-ethylidene-3,6,6-trimethylpyran-2-one.
What is the SMILES notation for 5-ethylidene-3,6,6-trimethylpyran-2-one?
The canonical SMILES for 5-ethylidene-3,6,6-trimethylpyran-2-one is CC=C1C=C(C)C(=O)OC1(C)C.
What is the InChIKey of 5-ethylidene-3,6,6-trimethylpyran-2-one?
The InChIKey is OFOTZVNSRRCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-8-6-7(2)9(11)12-10(8,3)4/h5-6H,1-4H3.
What are the key properties of 5-ethylidene-3,6,6-trimethylpyran-2-one?
5-ethylidene-3,6,6-trimethylpyran-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-3,6,6-trimethylpyran-2-one is sourced from PubChem (CID 162968355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).