5-undec-10-enoxyfuran-2-carboxylic acid

C16H24O4 — CID 21327076

IUPAC5-undec-10-enoxyfuran-2-carboxylic acid
SMILESC=CCCCCCCCCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-13-19-15-12-11-14(20-15)16(17)18/h2,11-12H,1,3-10,13H2,(H,17,18)
InChIKeyMYJLEPLAYHTHNI-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.66
Rot. Bonds12

About 5-undec-10-enoxyfuran-2-carboxylic acid

5-undec-10-enoxyfuran-2-carboxylic acid (PubChem CID 21327076) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-undec-10-enoxyfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-undec-10-enoxyfuran-2-carboxylic acid
PubChem CID21327076
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name5-undec-10-enoxyfuran-2-carboxylic acid
SMILESC=CCCCCCCCCCOc1ccc(C(=O)O)o1
InChIInChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-13-19-15-12-11-14(20-15)16(17)18/h2,11-12H,1,3-10,13H2,(H,17,18)
InChIKeyMYJLEPLAYHTHNI-UHFFFAOYSA-N
XLogP4.66
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
dichloromethane;propan-2-yl 5-tetradecoxyfuran-2-carboxylate;5-tetradecoxyfuran-2-carboxylic acid
CID 157100187
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
1-(5-pentadec-9-enoxyfuran-2-yl)ethanone
CID 54484583
1-[5-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]furan-2-yl]propan-1-one
CID 22152437
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
2-fluoro-4-(4-undec-10-enoxyphenyl)benzoic acid
CID 139786123
4-octoxy-3-undec-10-enoxybenzoic acid
CID 43833889
4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942

Frequently Asked Questions

What is the IUPAC name of 5-undec-10-enoxyfuran-2-carboxylic acid?
The IUPAC name of 5-undec-10-enoxyfuran-2-carboxylic acid (CID 21327076) is 5-undec-10-enoxyfuran-2-carboxylic acid.
What is the SMILES notation for 5-undec-10-enoxyfuran-2-carboxylic acid?
The canonical SMILES for 5-undec-10-enoxyfuran-2-carboxylic acid is C=CCCCCCCCCCOc1ccc(C(=O)O)o1.
What is the InChIKey of 5-undec-10-enoxyfuran-2-carboxylic acid?
The InChIKey is MYJLEPLAYHTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-10-13-19-15-12-11-14(20-15)16(17)18/h2,11-12H,1,3-10,13H2,(H,17,18).
What are the key properties of 5-undec-10-enoxyfuran-2-carboxylic acid?
5-undec-10-enoxyfuran-2-carboxylic acid has a molecular weight of 280.36 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undec-10-enoxyfuran-2-carboxylic acid is sourced from PubChem (CID 21327076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).