4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid

C11H14O4 — CID 134903207

IUPAC4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid
SMILESC/C=C(\OC)OC1C=CC(C(=O)O)=CC1
InChIInChI=1S/C11H14O4/c1-3-10(14-2)15-9-6-4-8(5-7-9)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/b10-3+
InChIKeySZVSUEHDHSMZTD-XCVCLJGOSA-N
MW210.23 g/mol
LogP1.85
Rot. Bonds4

About 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid

4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 134903207) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid
PubChem CID134903207
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid
SMILESC/C=C(\OC)OC1C=CC(C(=O)O)=CC1
InChIInChI=1S/C11H14O4/c1-3-10(14-2)15-9-6-4-8(5-7-9)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/b10-3+
InChIKeySZVSUEHDHSMZTD-XCVCLJGOSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid (CID 134903207) is 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid is C/C=C(\OC)OC1C=CC(C(=O)O)=CC1.
What is the InChIKey of 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is SZVSUEHDHSMZTD-XCVCLJGOSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-10(14-2)15-9-6-4-8(5-7-9)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)/b10-3+.
What are the key properties of 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid?
4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-methoxyprop-1-enoxy]cyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 134903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).