5-methoxycarbonylcyclopentene-1-carboxylic acid

C8H10O4 — CID 11126693

IUPAC5-methoxycarbonylcyclopentene-1-carboxylic acid
SMILESCOC(=O)C1CCC=C1C(=O)O
InChIInChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h3,6H,2,4H2,1H3,(H,9,10)
InChIKeyWQQCQAXUVIPLKS-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.58
Rot. Bonds2

About 5-methoxycarbonylcyclopentene-1-carboxylic acid

5-methoxycarbonylcyclopentene-1-carboxylic acid (PubChem CID 11126693) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-methoxycarbonylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonylcyclopentene-1-carboxylic acid
PubChem CID11126693
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-methoxycarbonylcyclopentene-1-carboxylic acid
SMILESCOC(=O)C1CCC=C1C(=O)O
InChIInChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h3,6H,2,4H2,1H3,(H,9,10)
InChIKeyWQQCQAXUVIPLKS-UHFFFAOYSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclobutene-1,2-dicarboxylic acid, 3-methyl-
CID 21037
5-Methylcyclopent-1-ene-1-carboxylic acid
CID 557307
(E)-2-(1-methoxy-1-oxopropan-2-yl)oct-2-enoic acid
CID 21632549
Cyclohex-2-ene-1,2-dicarboxylic acid
CID 15051956
2,6R-Dimethyl-2E-octen-1,8-dioic acid
CID 56935840
(E)-2-[(2R)-1-methoxy-1-oxopropan-2-yl]oct-2-enoic acid
CID 162920802
2-Cyclopentene-1,2-dicarboxylic acid
CID 54433583
Diethyl cyclopent-2-ene-1,2-dicarboxylate
CID 10242278
Dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
Norbornadiene dicarboxylic acid
CID 19914416
2,6-Dimethyl-2-octenedioic acid
CID 76463672
Methyl 2-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
CID 129759372

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylcyclopentene-1-carboxylic acid?
The IUPAC name of 5-methoxycarbonylcyclopentene-1-carboxylic acid (CID 11126693) is 5-methoxycarbonylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonylcyclopentene-1-carboxylic acid?
The canonical SMILES for 5-methoxycarbonylcyclopentene-1-carboxylic acid is COC(=O)C1CCC=C1C(=O)O.
What is the InChIKey of 5-methoxycarbonylcyclopentene-1-carboxylic acid?
The InChIKey is WQQCQAXUVIPLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h3,6H,2,4H2,1H3,(H,9,10).
What are the key properties of 5-methoxycarbonylcyclopentene-1-carboxylic acid?
5-methoxycarbonylcyclopentene-1-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 11126693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).