(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid

C15H26O5 — CID 101278456

IUPAC(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid
SMILESC/C=C/CCCCCC(CC(=O)O)C(=O)OCC(C)O
InChIInChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(10-14(17)18)15(19)20-11-12(2)16/h3-4,12-13,16H,5-11H2,1-2H3,(H,17,18)/b4-3+
InChIKeyFUZXTNHAPBSNAF-ONEGZZNKSA-N
MW286.37 g/mol
LogP2.53
Rot. Bonds11

About (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid

(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid (PubChem CID 101278456) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid
PubChem CID101278456
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid
SMILESC/C=C/CCCCCC(CC(=O)O)C(=O)OCC(C)O
InChIInChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(10-14(17)18)15(19)20-11-12(2)16/h3-4,12-13,16H,5-11H2,1-2H3,(H,17,18)/b4-3+
InChIKeyFUZXTNHAPBSNAF-ONEGZZNKSA-N
XLogP2.53
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-(2-hydroxypropoxycarbonyl)undec-6-enoic acid
CID 101278453
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909
9-(2-hydroxypropoxycarbonyl)heptadecanoic acid
CID 18354793
2-[(2E,12E)-tetradeca-2,12-dienyl]butanedioic acid
CID 101278112
(E)-non-7-en-2-ol
CID 14615052
2-methylnon-7-enamide
CID 142782091
2-ethylnon-7-enoic acid
CID 143730555
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
4-oxo-3-pentadec-6-enylhenicos-12-enoic acid
CID 173150482
(E)-2-methylnon-7-enoic acid
CID 146276957
methyl 2-hydroxynon-7-enoate
CID 174951133

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid?
The IUPAC name of (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid (CID 101278456) is (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid.
What is the SMILES notation for (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid?
The canonical SMILES for (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid is C/C=C/CCCCCC(CC(=O)O)C(=O)OCC(C)O.
What is the InChIKey of (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid?
The InChIKey is FUZXTNHAPBSNAF-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H26O5/c1-3-4-5-6-7-8-9-13(10-14(17)18)15(19)20-11-12(2)16/h3-4,12-13,16H,5-11H2,1-2H3,(H,17,18)/b4-3+.
What are the key properties of (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid?
(E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxypropoxycarbonyl)undec-9-enoic acid is sourced from PubChem (CID 101278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).