7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C10H12O5 — CID 18365824

IUPAC7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCOC(=O)C1C2C=CC(C2O)C1C(=O)O
InChIInChI=1S/C10H12O5/c1-15-10(14)7-5-3-2-4(8(5)11)6(7)9(12)13/h2-8,11H,1H3,(H,12,13)
InChIKeyOSERUTYOYFVNJP-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.35
Rot. Bonds2

About 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 18365824) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID18365824
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESCOC(=O)C1C2C=CC(C2O)C1C(=O)O
InChIInChI=1S/C10H12O5/c1-15-10(14)7-5-3-2-4(8(5)11)6(7)9(12)13/h2-8,11H,1H3,(H,12,13)
InChIKeyOSERUTYOYFVNJP-UHFFFAOYSA-N
XLogP-0.35
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl cucurbate
CID 11009664
methyl 2-[(1R,2R,3R)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 14037104
Methyl-6-epi-cucurbate
CID 11107054
methyl 2-[(1R,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 11195486
methyl 2-[(1S,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 162969489
3-Methoxycarbonylmethyl-2-(cis-2-pentenyl)-cyclopentanol
CID 10059594
methyl 2-[3-hydroxy-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 14037102
dimethyl (1R,2R,3R,4S)-7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 51020823
methyl (3aR,4S,5R,7aS)-5-[(1S)-1-hydroxyethyl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 102398078
Isopropyl hydrogen (2s,3s)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 129739737
Methyl 2,3-di-epi-cucurbate
CID 91747484
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7,7-dimethoxy-
CID 556633

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 18365824) is 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is COC(=O)C1C2C=CC(C2O)C1C(=O)O.
What is the InChIKey of 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is OSERUTYOYFVNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-15-10(14)7-5-3-2-4(8(5)11)6(7)9(12)13/h2-8,11H,1H3,(H,12,13).
What are the key properties of 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 18365824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).