6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid

C10H10O5 — CID 74944329

IUPAC6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid
SMILESCC=C1C(=O)OC2CC1C(C(=O)O)=CO2
InChIInChI=1S/C10H10O5/c1-2-5-6-3-8(15-10(5)13)14-4-7(6)9(11)12/h2,4,6,8H,3H2,1H3,(H,11,12)
InChIKeyHRQTURYIXBOKDA-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.82
Rot. Bonds1

About 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid

6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid (PubChem CID 74944329) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid.

Molecular Properties

Compound Name6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid
PubChem CID74944329
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid
SMILESCC=C1C(=O)OC2CC1C(C(=O)O)=CO2
InChIInChI=1S/C10H10O5/c1-2-5-6-3-8(15-10(5)13)14-4-7(6)9(11)12/h2,4,6,8H,3H2,1H3,(H,11,12)
InChIKeyHRQTURYIXBOKDA-UHFFFAOYSA-N
XLogP0.82
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-dimethoxyoxan-4-yl)-2H-furan-5-one
CID 162885463
methyl (1R,5R,6Z)-6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
CID 44241606
2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164187
2-(3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl)acetic acid
CID 58695228
1-Hydroxy-7-methyl-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789268
1-(Oxan-2-yloxy)-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789281
Methyl 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
CID 74944365
2-[(2R,3E,4S)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 89887634
2-[(3Z)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 101924364
methyl (5E)-4-ethyl-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
CID 142847964
2-[(2R,4S)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 152743423
(5E,6R)-4-(carboxymethyl)-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylic acid
CID 10728029

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid?
The IUPAC name of 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid (CID 74944329) is 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid.
What is the SMILES notation for 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid?
The canonical SMILES for 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid is CC=C1C(=O)OC2CC1C(C(=O)O)=CO2.
What is the InChIKey of 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid?
The InChIKey is HRQTURYIXBOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-5-6-3-8(15-10(5)13)14-4-7(6)9(11)12/h2,4,6,8H,3H2,1H3,(H,11,12).
What are the key properties of 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid?
6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid is sourced from PubChem (CID 74944329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).