5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid

C12H14O4 — CID 151251955

IUPAC5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2C=CCCC2)o1
InChIInChI=1S/C12H14O4/c13-12(14)10-6-7-11(16-10)15-8-9-4-2-1-3-5-9/h2,4,6-7,9H,1,3,5,8H2,(H,13,14)
InChIKeyNSNDQUNBLMUGPP-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.71
Rot. Bonds4

About 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid

5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid (PubChem CID 151251955) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid
PubChem CID151251955
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCC2C=CCCC2)o1
InChIInChI=1S/C12H14O4/c13-12(14)10-6-7-11(16-10)15-8-9-4-2-1-3-5-9/h2,4,6-7,9H,1,3,5,8H2,(H,13,14)
InChIKeyNSNDQUNBLMUGPP-UHFFFAOYSA-N
XLogP2.71
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid (CID 151251955) is 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid is O=C(O)c1ccc(OCC2C=CCCC2)o1.
What is the InChIKey of 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid?
The InChIKey is NSNDQUNBLMUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-12(14)10-6-7-11(16-10)15-8-9-4-2-1-3-5-9/h2,4,6-7,9H,1,3,5,8H2,(H,13,14).
What are the key properties of 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid?
5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid is sourced from PubChem (CID 151251955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).