5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate

C12H11O4- — CID 134854697

IUPAC5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
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/p-1
InChIKeyCNDSOPJUUREONG-UHFFFAOYSA-M
MW219.22 g/mol
LogP0.92
Rot. Bonds1

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

5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate (PubChem CID 134854697) has the molecular formula C12H11O4- and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
PubChem CID134854697
Molecular FormulaC12H11O4-
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate
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/p-1
InChIKeyCNDSOPJUUREONG-UHFFFAOYSA-M
XLogP0.92
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

5-But-2-enylidene-3-prop-1-enylfuran-2-one
CID 85817228
5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one
CID 139587167
7-Methylcyclopentapyranone
CID 129776125
Acetoxyfulvene
CID 154283132
2,2-Dimethyl-5-(3-methylbut-2-enyl)-6-oxo-1,3-dioxin-4-olate
CID 101130253
5-(2e)-2-Buten-1-ylidene-3-(1e)-1-propen-1-yl-2(5h)-furanone
CID 101157665
CID 139213735
CID 139213735
methyl (2Z)-2-(3-ethenyl-4-methyl-5-oxofuran-2-ylidene)acetate
CID 168305744
3,5,7-Trimethyl-2h-furo[2,3-c]pyran-2-one
CID 11240796
3-Ethenyl-4,6-dimethylpyran-2-one
CID 14338873
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl prop-2-enoate
CID 21843945
1,1-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22263329

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate (CID 134854697) is 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate 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)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate?
The InChIKey is CNDSOPJUUREONG-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate?
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate has a molecular weight of 219.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylidenemethyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate is sourced from PubChem (CID 134854697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).