2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one

C15H20O — CID 71067327

IUPAC2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one
SMILESCC(C)=CC1=C(C)C(=O)C(C)=C1C=C(C)C
InChIInChI=1S/C15H20O/c1-9(2)7-13-11(5)15(16)12(6)14(13)8-10(3)4/h7-8H,1-6H3
InChIKeyIIDSNCZOFRIBTD-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.13
Rot. Bonds2

About 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one

2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one (PubChem CID 71067327) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one
PubChem CID71067327
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one
SMILESCC(C)=CC1=C(C)C(=O)C(C)=C1C=C(C)C
InChIInChI=1S/C15H20O/c1-9(2)7-13-11(5)15(16)12(6)14(13)8-10(3)4/h7-8H,1-6H3
InChIKeyIIDSNCZOFRIBTD-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethanol;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
CID 146417623
2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one
CID 164818321
(E)-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)prop-2-enoic acid
CID 12824133
3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-methylprop-2-enoic acid
CID 68774350
2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione;3,4,5,6-tetramethylcyclohexa-3,5-diene-1,2-dione
CID 157237199
2,4-dimethyl-3-(2-methylprop-1-enyl)-2H-furan-5-one
CID 20820548
1,5,6-trimethyl-2-(2-methylprop-1-enyl)benzimidazole-4,7-dione
CID 25111675
2,3-dimethoxy-5-methyl-6-[(E)-prop-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 22966629
2,2-dimethyl-4-(2-methylprop-1-enyl)-5-oxofuran-3-carboxylic acid
CID 605983
3,4,5-trimethyl-6-(1-phenylprop-1-en-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 70627167
3,4-dimethyl-2,5-bis(2-methylprop-1-enyl)-1H-phosphole
CID 132505963
(2E)-2-[[4,5-bis(hydroxymethyl)-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methylidene]undecanoic acid
CID 169019327

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one (CID 71067327) is 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one is CC(C)=CC1=C(C)C(=O)C(C)=C1C=C(C)C.
What is the InChIKey of 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one?
The InChIKey is IIDSNCZOFRIBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9(2)7-13-11(5)15(16)12(6)14(13)8-10(3)4/h7-8H,1-6H3.
What are the key properties of 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one?
2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-bis(2-methylprop-1-enyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 71067327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).