(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one

C10H12O2 — CID 135080860

IUPAC(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one
SMILESC/C=C1\C=CC(=O)C(OCC)=C1
InChIInChI=1S/C10H12O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyQKLWALYNKYOPTJ-FPYGCLRLSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds2

About (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one

(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one (PubChem CID 135080860) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one
PubChem CID135080860
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one
SMILESC/C=C1\C=CC(=O)C(OCC)=C1
InChIInChI=1S/C10H12O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyQKLWALYNKYOPTJ-FPYGCLRLSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-5-methyl-1,4-benzoquinone
CID 11958
Kinobeon A
CID 10237057
2-Methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 12542182
2-Methoxy-2,4,6-cycloheptatrien-1-one
CID 16546
5-methoxy-2-methyl-4H-pyran-4-one
CID 235379
3-Methoxy-2-methyl-4H-pyran-4-one
CID 587693
Coniferyl alcohol radical
CID 122706626
2,4,6-Cycloheptatrien-1-one, 2-methoxy-4-(1-methylethyl)-
CID 10397353
2,5-Diethoxycyclohexa-2,5-diene-1,4-dione
CID 292230
2-Methoxy-4-allylidene-2,5-cyclohexadiene-1-one
CID 71448980
2-Methoxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 13931942
2-Methoxy-3-methyl-1,4-benzoquinone
CID 10931620

Frequently Asked Questions

What is the IUPAC name of (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one?
The IUPAC name of (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one (CID 135080860) is (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one?
The canonical SMILES for (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one is C/C=C1\C=CC(=O)C(OCC)=C1.
What is the InChIKey of (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one?
The InChIKey is QKLWALYNKYOPTJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,5-7H,4H2,1-2H3/b8-3+.
What are the key properties of (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one?
(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one is sourced from PubChem (CID 135080860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).