6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid

C14H20O6 — CID 134855152

IUPAC6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid
SMILESCOCC1=CCCC(/C(=C/C(=O)O)COC)C1C(=O)O
InChIInChI=1S/C14H20O6/c1-19-7-9-4-3-5-11(13(9)14(17)18)10(8-20-2)6-12(15)16/h4,6,11,13H,3,5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6+
InChIKeyMXBWRCWLDPSWHE-UXBLZVDNSA-N
MW284.31 g/mol
LogP1.33
Rot. Bonds7

About 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid

6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid (PubChem CID 134855152) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid
PubChem CID134855152
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid
SMILESCOCC1=CCCC(/C(=C/C(=O)O)COC)C1C(=O)O
InChIInChI=1S/C14H20O6/c1-19-7-9-4-3-5-11(13(9)14(17)18)10(8-20-2)6-12(15)16/h4,6,11,13H,3,5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6+
InChIKeyMXBWRCWLDPSWHE-UXBLZVDNSA-N
XLogP1.33
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-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

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid?
The IUPAC name of 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid (CID 134855152) is 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid?
The canonical SMILES for 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid is COCC1=CCCC(/C(=C/C(=O)O)COC)C1C(=O)O.
What is the InChIKey of 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid?
The InChIKey is MXBWRCWLDPSWHE-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H20O6/c1-19-7-9-4-3-5-11(13(9)14(17)18)10(8-20-2)6-12(15)16/h4,6,11,13H,3,5,7-8H2,1-2H3,(H,15,16)(H,17,18)/b10-6+.
What are the key properties of 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid?
6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-carboxy-3-methoxyprop-1-en-2-yl]-2-(methoxymethyl)cyclohex-2-ene-1-carboxylic acid is sourced from PubChem (CID 134855152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).