4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one

C12H20O — CID 21116220

IUPAC4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
SMILESCCC1(C)C(C)=CC(=O)C(C)C1C
InChIInChI=1S/C12H20O/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h7,9-10H,6H2,1-5H3
InChIKeyPZGAZDYGGFIIGE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.20
Rot. Bonds1

About 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one

4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one (PubChem CID 21116220) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
PubChem CID21116220
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one
SMILESCCC1(C)C(C)=CC(=O)C(C)C1C
InChIInChI=1S/C12H20O/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h7,9-10H,6H2,1-5H3
InChIKeyPZGAZDYGGFIIGE-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 16724
Isophorone
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Carvone, (+-)-
CID 7439
(+)-Nootkatone
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(+)-Pulegone
CID 442495
Carvone, (-)-
CID 439570
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
CID 5372174
Levoverbenone
CID 92874
Alpha-Ionone
CID 5282108
beta-DAMASCONE
CID 5374527
Allyl-alpha-ionone
CID 5365976
(+-)-Piperitone
CID 6987

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one?
The IUPAC name of 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one (CID 21116220) is 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one?
The canonical SMILES for 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one is CCC1(C)C(C)=CC(=O)C(C)C1C.
What is the InChIKey of 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one?
The InChIKey is PZGAZDYGGFIIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-6-12(5)8(2)7-11(13)9(3)10(12)4/h7,9-10H,6H2,1-5H3.
What are the key properties of 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one?
4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4,5,6-tetramethylcyclohex-2-en-1-one is sourced from PubChem (CID 21116220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).