5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

C12H12O4 — CID 134854698

IUPAC5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C(C=C2C=CC=C2)=C(O)O1
InChIInChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)7-8-5-3-4-6-8/h3-7,13H,1-2H3
InChIKeyCNDSOPJUUREONG-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.12
Rot. Bonds1

About 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one

5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134854698) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134854698
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C(C=C2C=CC=C2)=C(O)O1
InChIInChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)7-8-5-3-4-6-8/h3-7,13H,1-2H3
InChIKeyCNDSOPJUUREONG-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Bombardolide C
CID 10330245
(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
CID 11745513
3-(2-Oxo-5-propylidenefuran-3-yl)prop-2-enoic acid
CID 73083143
5-(Cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
CID 134854697
CID 139213735
CID 139213735
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22263329
Cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
CID 22990289
1,1-Di(cyclopenta-1,3-dien-1-yloxy)propyl 2-methylprop-2-enoate
CID 53693688
1,1-Di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
CID 54376869
6-Hydroxy-2,2-dimethyl-5-(2-methyl-6-oxopyran-4-yl)-1,3-dioxin-4-one
CID 58939827
3-(4-Hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-2-methylprop-2-enenitrile
CID 59024630
(1,4-Dihydroxycyclohexa-2,4-dien-1-yl) 2-methylprop-2-enoate
CID 67705907

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one (CID 134854698) is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C(C=C2C=CC=C2)=C(O)O1.
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is CNDSOPJUUREONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)7-8-5-3-4-6-8/h3-7,13H,1-2H3.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one?
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 220.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134854698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).