4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C15H20O4 — CID 101232686

IUPAC4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C2C=CC=C2)C1=O
InChIInChI=1S/C15H20O4/c1-9(2)18-12-13(16)15(17,11-7-5-6-8-11)14(12)19-10(3)4/h5-11,17H,1-4H3
InChIKeyNTDUODPCUDTEBG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds5

About 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 101232686) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID101232686
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C2C=CC=C2)C1=O
InChIInChI=1S/C15H20O4/c1-9(2)18-12-13(16)15(17,11-7-5-6-8-11)14(12)19-10(3)4/h5-11,17H,1-4H3
InChIKeyNTDUODPCUDTEBG-UHFFFAOYSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-Ethenyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11229870
4-Tert-butyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140279
4-Tert-butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 134898043
4-Hydroxy-2,3-dimethoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593188
2,3-Dibutoxy-4-ethyl-4-hydroxycyclobut-2-en-1-one
CID 19751793
4-Hydroxy-2-(1-hydroxycyclohexa-2,4-dien-1-yl)-2,5-dimethylfuran-3-one
CID 139707455
4-Hydroxy-4-propan-2-yl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10421855
4-[(1E)-5,9-dimethyldeca-1,8-dienyl]-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10713836
4-Ethyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 11096363
4-Hydroxy-2,3-di(propan-2-yloxy)-4-prop-2-enylcyclobut-2-en-1-one
CID 101186047
2-Cyclopenta-2,4-dien-1-yl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 101232691
4-(2-Cyclopenta-2,4-dien-1-ylethynyl)-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 101411965

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 101232686) is 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(O)(C2C=CC=C2)C1=O.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is NTDUODPCUDTEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(2)18-12-13(16)15(17,11-7-5-6-8-11)14(12)19-10(3)4/h5-11,17H,1-4H3.
What are the key properties of 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-yl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 101232686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).