5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid

C10H14O5 — CID 62205827

IUPAC5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
SMILESCC(C)OCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O5/c1-7(2)13-5-6-14-9-4-3-8(15-9)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyFQCJOMDBGIHARU-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.78
Rot. Bonds6

About 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid

5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid (PubChem CID 62205827) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
PubChem CID62205827
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
SMILESCC(C)OCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O5/c1-7(2)13-5-6-14-9-4-3-8(15-9)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyFQCJOMDBGIHARU-UHFFFAOYSA-N
XLogP1.78
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
CID 62205994
5-undec-10-enoxyfuran-2-carboxylic acid
CID 21327076
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid (CID 62205827) is 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid is CC(C)OCCOc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid?
The InChIKey is FQCJOMDBGIHARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(2)13-5-6-14-9-4-3-8(15-9)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid?
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid is sourced from PubChem (CID 62205827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).