4,6,8-trimethylazulene-1,5-dione

C13H12O2 — CID 15109160

IUPAC4,6,8-trimethylazulene-1,5-dione
SMILESCc1cc(C)c(=O)c(C)c2c1C(=O)C=C2
InChIInChI=1S/C13H12O2/c1-7-6-8(2)13(15)9(3)10-4-5-11(14)12(7)10/h4-6H,1-3H3
InChIKeyVJOLEETXZCRVOS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.18
Rot. Bonds

About 4,6,8-trimethylazulene-1,5-dione

4,6,8-trimethylazulene-1,5-dione (PubChem CID 15109160) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4,6,8-trimethylazulene-1,5-dione.

Molecular Properties

Compound Name4,6,8-trimethylazulene-1,5-dione
PubChem CID15109160
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name4,6,8-trimethylazulene-1,5-dione
SMILESCc1cc(C)c(=O)c(C)c2c1C(=O)C=C2
InChIInChI=1S/C13H12O2/c1-7-6-8(2)13(15)9(3)10-4-5-11(14)12(7)10/h4-6H,1-3H3
InChIKeyVJOLEETXZCRVOS-UHFFFAOYSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethylinden-1-one
CID 100998030
4,6,8-trimethyl-2-(4,6,8-trimethylazulen-1-yl)azulene-1,7-dione
CID 15109157
2,3-dimethyl-1H-quinoline-4,5,8-trione
CID 20700988
2,3,5-trimethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 2752735
(4Z)-pentacyclo[11.9.1.17,17.02,11.06,19]tetracosa-1,4,6(19),7(24),11,13(23),17-heptaen-3-one
CID 134887564
4-methylchromene-2,7,8-trione
CID 15647394
2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953
(6E)-4-methyl-6-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)cyclohexa-2,4-dien-1-one
CID 101360604
9,12,12,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),5,9,14,16,18,20-nonaene-4,7-dione
CID 118066168
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
CID 14915371
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
(8Z)-tetracyclo[8.1.0.02,4.05,7]undeca-1(10),2(4),5(7),8-tetraene-3,6,11-trione
CID 139291542

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethylazulene-1,5-dione?
The IUPAC name of 4,6,8-trimethylazulene-1,5-dione (CID 15109160) is 4,6,8-trimethylazulene-1,5-dione.
What is the SMILES notation for 4,6,8-trimethylazulene-1,5-dione?
The canonical SMILES for 4,6,8-trimethylazulene-1,5-dione is Cc1cc(C)c(=O)c(C)c2c1C(=O)C=C2.
What is the InChIKey of 4,6,8-trimethylazulene-1,5-dione?
The InChIKey is VJOLEETXZCRVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-7-6-8(2)13(15)9(3)10-4-5-11(14)12(7)10/h4-6H,1-3H3.
What are the key properties of 4,6,8-trimethylazulene-1,5-dione?
4,6,8-trimethylazulene-1,5-dione has a molecular weight of 200.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethylazulene-1,5-dione is sourced from PubChem (CID 15109160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).