2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione

C15H16O3 — CID 101232704

IUPAC2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(C2C=CC=C2)=C(OC(C)C)C1=O
InChIInChI=1S/C15H16O3/c1-9(2)18-15-13(11-6-4-5-7-11)12(16)8-10(3)14(15)17/h4-9,11H,1-3H3
InChIKeyLOJBYODIDGILGT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.51
Rot. Bonds3

About 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione

2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione (PubChem CID 101232704) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
PubChem CID101232704
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(C2C=CC=C2)=C(OC(C)C)C1=O
InChIInChI=1S/C15H16O3/c1-9(2)18-15-13(11-6-4-5-7-11)12(16)8-10(3)14(15)17/h4-9,11H,1-3H3
InChIKeyLOJBYODIDGILGT-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione with MolForge

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Related Compounds

(4Z)-4-(1-methoxy-4-methyl-2-oxopentylidene)-2-methylcyclohexa-2,5-dien-1-one
CID 101997923
(4E)-4-(1-methoxy-4-methyl-2-oxopentylidene)-2-methylcyclohexa-2,5-dien-1-one
CID 10704847
4-(1-Methoxy-4-methyl-2-oxopentylidene)-2-methylcyclohexa-2,5-dien-1-one
CID 85239339
(2R,4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 163195494
2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone
CID 642460
2-[(E)-3,5-dimethyl-4-oxohex-1-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 11357478
2-methoxy-5-[(E)-5-methyl-4-oxohex-1-enyl]cyclohexa-2,5-diene-1,4-dione
CID 12109749
1-(3,4-Dihydro-2H-pyran-6-yl)-3-methyl-2-methylidenebutan-1-one
CID 71377803
(4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 10106162
2-Methyl-2,3-dihydrocyclohepta[b]furan-8-one
CID 12581929
2,2-Dimethyl-3,6-dihydro-1-benzofuran-7-one
CID 20267365
2,3-dimethyl-3,6-dihydro-2H-1-benzofuran-7-one
CID 20267367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione (CID 101232704) is 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(C2C=CC=C2)=C(OC(C)C)C1=O.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
The InChIKey is LOJBYODIDGILGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9(2)18-15-13(11-6-4-5-7-11)12(16)8-10(3)14(15)17/h4-9,11H,1-3H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione?
2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione has a molecular weight of 244.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-5-methyl-3-propan-2-yloxycyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 101232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).