(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one

C10H14O2 — CID 142346753

IUPAC(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one
SMILESC/C=C1/C=CC(=O)OC1(C)CC
InChIInChI=1S/C10H14O2/c1-4-8-6-7-9(11)12-10(8,3)5-2/h4,6-7H,5H2,1-3H3/b8-4-
InChIKeyWOGLTPUVHRXQMA-YWEYNIOJSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds1

About (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one

(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one (PubChem CID 142346753) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one.

Molecular Properties

Compound Name(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one
PubChem CID142346753
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one
SMILESC/C=C1/C=CC(=O)OC1(C)CC
InChIInChI=1S/C10H14O2/c1-4-8-6-7-9(11)12-10(8,3)5-2/h4,6-7H,5H2,1-3H3/b8-4-
InChIKeyWOGLTPUVHRXQMA-YWEYNIOJSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one?
The IUPAC name of (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one (CID 142346753) is (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one.
What is the SMILES notation for (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one?
The canonical SMILES for (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one is C/C=C1/C=CC(=O)OC1(C)CC.
What is the InChIKey of (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one?
The InChIKey is WOGLTPUVHRXQMA-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-8-6-7-9(11)12-10(8,3)5-2/h4,6-7H,5H2,1-3H3/b8-4-.
What are the key properties of (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one?
(5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-ethyl-5-ethylidene-6-methylpyran-2-one is sourced from PubChem (CID 142346753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).