5-methyl-6-methylidenecyclohexa-2,4-dien-1-one

C8H8O — CID 13265824

IUPAC5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
SMILESC=C1C(=O)C=CC=C1C
InChIInChI=1S/C8H8O/c1-6-4-3-5-8(9)7(6)2/h3-5H,2H2,1H3
InChIKeyTYWMDTKUDVEYHJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.63
Rot. Bonds

About 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one

5-methyl-6-methylidenecyclohexa-2,4-dien-1-one (PubChem CID 13265824) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
PubChem CID13265824
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name5-methyl-6-methylidenecyclohexa-2,4-dien-1-one
SMILESC=C1C(=O)C=CC=C1C
InChIInChI=1S/C8H8O/c1-6-4-3-5-8(9)7(6)2/h3-5H,2H2,1H3
InChIKeyTYWMDTKUDVEYHJ-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 59831176
(1Z,3Z,5Z,7Z)-1,2,3,4,5-pentamethylcycloocta-1,3,5,7-tetraene
CID 58519935
2,3-dimethoxy-5-methyl-4-methylidenecyclohexa-2,5-dien-1-one
CID 145481857
methane;6-methylidenecyclohexa-2,4-dien-1-one;2-methylpropane
CID 157497539
(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene
CID 163384527
cyclohexa-3,5-diene-1,2-dione;iron
CID 67784673
3-tert-butylcyclohexa-3,5-diene-1,2-dione
CID 22003419
3-(dimethylamino)cyclohexa-3,5-diene-1,2-dione
CID 154016364
2-methylcyclohexa-2,5-diene-1,4-dione
CID 141014502
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532
2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 10654267
5-methylcyclohexa-2,4-dien-1-one
CID 12976806

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one?
The IUPAC name of 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one (CID 13265824) is 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one is C=C1C(=O)C=CC=C1C.
What is the InChIKey of 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one?
The InChIKey is TYWMDTKUDVEYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-6-4-3-5-8(9)7(6)2/h3-5H,2H2,1H3.
What are the key properties of 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one?
5-methyl-6-methylidenecyclohexa-2,4-dien-1-one has a molecular weight of 120.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methylidenecyclohexa-2,4-dien-1-one is sourced from PubChem (CID 13265824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).