2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid

C11H10O4 — CID 151024963

IUPAC2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)C=CC=CC=C1
InChIInChI=1S/C11H10O4/c1-15-11(14)9-7-5-3-2-4-6-8(9)10(12)13/h2-7H,1H3,(H,12,13)
InChIKeyLYVYJTIQLZPVIE-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.22
Rot. Bonds2

About 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid

2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid (PubChem CID 151024963) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid
PubChem CID151024963
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)C=CC=CC=C1
InChIInChI=1S/C11H10O4/c1-15-11(14)9-7-5-3-2-4-6-8(9)10(12)13/h2-7H,1H3,(H,12,13)
InChIKeyLYVYJTIQLZPVIE-UHFFFAOYSA-N
XLogP1.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylcarbamoyl)cycloocta-1,3,5,7-tetraene-1-carboxylic acid
CID 171488791
2-methoxycarbonyl-7-methylcyclohepta-1,3,5-triene-1-carboxylic acid
CID 91197668
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
2-[2,3-bis(methoxycarbonyl)azepin-1-yl]-6-hydroxybenzoic acid
CID 168650283
dimethyl 1-(3,5-difluorophenyl)azepine-2,3-dicarboxylate
CID 168650547
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
3-[2,3-bis(methoxycarbonyl)azepin-1-yl]-5-nitrobenzoic acid
CID 168646415
2-[2,3-bis(methoxycarbonyl)azepin-1-yl]-5-hydroxybenzoic acid
CID 168650683
dimethyl 1-(2-bromophenyl)azepine-2,3-dicarboxylate
CID 168646179
dimethyl 1-(3,4,5-trimethoxyphenyl)azepine-2,3-dicarboxylate
CID 168600990
2-[2,3-bis(methoxycarbonyl)azepin-1-yl]-5-fluorobenzoic acid
CID 168650664

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid (CID 151024963) is 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid is COC(=O)C1=C(C(=O)O)C=CC=CC=C1.
What is the InChIKey of 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid?
The InChIKey is LYVYJTIQLZPVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-15-11(14)9-7-5-3-2-4-6-8(9)10(12)13/h2-7H,1H3,(H,12,13).
What are the key properties of 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid?
2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylcycloocta-1,3,5,7-tetraene-1-carboxylic acid is sourced from PubChem (CID 151024963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).