(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one

C11H16O — CID 643928

IUPAC(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one
SMILESC/C=C1/C=C(C)C(=O)C(C)(C)C1
InChIInChI=1S/C11H16O/c1-5-9-6-8(2)10(12)11(3,4)7-9/h5-6H,7H2,1-4H3/b9-5-
InChIKeyGHZGOFPPZRIGRM-UITAMQMPSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds

About (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one

(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one (PubChem CID 643928) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one
PubChem CID643928
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one
SMILESC/C=C1/C=C(C)C(=O)C(C)(C)C1
InChIInChI=1S/C11H16O/c1-5-9-6-8(2)10(12)11(3,4)7-9/h5-6H,7H2,1-4H3/b9-5-
InChIKeyGHZGOFPPZRIGRM-UITAMQMPSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carvone, (+)-
CID 16724
Isophorone
CID 6544
Carvone, (+-)-
CID 7439
Carvone, (-)-
CID 439570
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
CID 5372174
I2-Ionone
CID 638014
beta-Damascenone
CID 5366074
2,6-Di-t-butyl-p-benzoquinone
CID 12867
beta-DAMASCONE
CID 5374527
Allyl-alpha-ionone
CID 5365976
Ketoisophorone
CID 62374
Methylionone
CID 5371084

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one?
The IUPAC name of (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one (CID 643928) is (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one.
What is the SMILES notation for (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one?
The canonical SMILES for (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one is C/C=C1/C=C(C)C(=O)C(C)(C)C1.
What is the InChIKey of (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one?
The InChIKey is GHZGOFPPZRIGRM-UITAMQMPSA-N. The full InChI is InChI=1S/C11H16O/c1-5-9-6-8(2)10(12)11(3,4)7-9/h5-6H,7H2,1-4H3/b9-5-.
What are the key properties of (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one?
(4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2,6,6-trimethylcyclohex-2-en-1-one is sourced from PubChem (CID 643928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).