2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C10H10Cl2O4 — CID 134123583

IUPAC2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCOC(=O)C1(Cl)C2C=CC(C2)C1(Cl)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-16-8(15)10(12)6-3-2-5(4-6)9(10,11)7(13)14/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyOBLMPEDYVKUHBB-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.41
Rot. Bonds2

About 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 134123583) has the molecular formula C10H10Cl2O4 and a molecular weight of 265.09 g/mol. Its IUPAC name is 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID134123583
Molecular FormulaC10H10Cl2O4
Molecular Weight265.09 g/mol
Exact Mass264.00
IUPAC Name2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCOC(=O)C1(Cl)C2C=CC(C2)C1(Cl)C(=O)O
InChIInChI=1S/C10H10Cl2O4/c1-16-8(15)10(12)6-3-2-5(4-6)9(10,11)7(13)14/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyOBLMPEDYVKUHBB-UHFFFAOYSA-N
XLogP1.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2,3-dicyanobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 548816
methyl 2-bromobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14863863
methyl (2S)-2-(2-chloroethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 70591056
1-chloro-2,2-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid
CID 139621478
2,3-diethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 22261276
(1S,2S,3S,4S,7S,8S)-3,8-bis(methoxycarbonyl)tricyclo[5.1.0.02,4]oct-5-ene-3,8-dicarboxylic acid
CID 101115278
dimethyl (2S,4R)-tetracyclo[3.2.0.02,7.04,6]heptane-1,6-dicarboxylate
CID 10727053
dimethyl 2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 13003697
dimethyl 3,9-dioxo-6-sulfanylidene-5,7-dithiatetracyclo[9.2.1.02,10.04,8]tetradeca-4(8),12-diene-2,10-dicarboxylate
CID 75089882
methyl (1S,2R,4S)-2-[(R)-hydroxy(phenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11817761
methyl (1S,2S,4S)-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 132552801
(1R,2R,4S)-2-chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6993758

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 134123583) is 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is COC(=O)C1(Cl)C2C=CC(C2)C1(Cl)C(=O)O.
What is the InChIKey of 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is OBLMPEDYVKUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O4/c1-16-8(15)10(12)6-3-2-5(4-6)9(10,11)7(13)14/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 265.09 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 134123583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).