5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid

C11H16O4 — CID 62205994

IUPAC5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
SMILESCC(C)CC(C)Oc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O4/c1-7(2)6-8(3)14-10-5-4-9(15-10)11(12)13/h4-5,7-8H,6H2,1-3H3,(H,12,13)
InChIKeySWXBXSKSENLUJK-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.79
Rot. Bonds5

About 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid

5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid (PubChem CID 62205994) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
PubChem CID62205994
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid
SMILESCC(C)CC(C)Oc1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O4/c1-7(2)6-8(3)14-10-5-4-9(15-10)11(12)13/h4-5,7-8H,6H2,1-3H3,(H,12,13)
InChIKeySWXBXSKSENLUJK-UHFFFAOYSA-N
XLogP2.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-butan-2-yloxyfuran-2-yl)ethanone
CID 175527860
5-(4-methylpentan-2-yloxy)furan-2-carbaldehyde
CID 79116560
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-[2-methylpropyl(propan-2-yl)amino]furan-2-carboxylic acid
CID 62205507
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
(3R)-3-[(5-methoxyfuran-2-carbonyl)amino]-5-methylhexanoic acid
CID 126445271
5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
CID 165389443
5-[bis(2-methylpropyl)amino]furan-2-carboxylic acid
CID 62206901

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid?
The IUPAC name of 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid (CID 62205994) is 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid is CC(C)CC(C)Oc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid?
The InChIKey is SWXBXSKSENLUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)6-8(3)14-10-5-4-9(15-10)11(12)13/h4-5,7-8H,6H2,1-3H3,(H,12,13).
What are the key properties of 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid?
5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid has a molecular weight of 212.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-yloxy)furan-2-carboxylic acid is sourced from PubChem (CID 62205994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).