11-ethoxy-2-hydroxyundec-4-enoic acid

C13H24O4 — CID 57018637

IUPAC11-ethoxy-2-hydroxyundec-4-enoic acid
SMILESCCOCCCCCCC=CCC(O)C(=O)O
InChIInChI=1S/C13H24O4/c1-2-17-11-9-7-5-3-4-6-8-10-12(14)13(15)16/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,15,16)
InChIKeyRGENNTSPXVUIKI-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.37
Rot. Bonds11

About 11-ethoxy-2-hydroxyundec-4-enoic acid

11-ethoxy-2-hydroxyundec-4-enoic acid (PubChem CID 57018637) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 11-ethoxy-2-hydroxyundec-4-enoic acid.

Molecular Properties

Compound Name11-ethoxy-2-hydroxyundec-4-enoic acid
PubChem CID57018637
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name11-ethoxy-2-hydroxyundec-4-enoic acid
SMILESCCOCCCCCCC=CCC(O)C(=O)O
InChIInChI=1S/C13H24O4/c1-2-17-11-9-7-5-3-4-6-8-10-12(14)13(15)16/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,15,16)
InChIKeyRGENNTSPXVUIKI-UHFFFAOYSA-N
XLogP2.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

(Z)-2-hydroxydodec-4-enoic acid
CID 134931228
(E)-18-ethoxyoctadec-3-ene
CID 6437683
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-13-ethoxytridec-5-ene
CID 87205027
15-ethoxypentadec-7-ene
CID 91170991
1-ethoxytetratriacont-25-en-17-ol
CID 123371812
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(E)-2-hydroxyicos-11-enoic acid
CID 87314905

Frequently Asked Questions

What is the IUPAC name of 11-ethoxy-2-hydroxyundec-4-enoic acid?
The IUPAC name of 11-ethoxy-2-hydroxyundec-4-enoic acid (CID 57018637) is 11-ethoxy-2-hydroxyundec-4-enoic acid.
What is the SMILES notation for 11-ethoxy-2-hydroxyundec-4-enoic acid?
The canonical SMILES for 11-ethoxy-2-hydroxyundec-4-enoic acid is CCOCCCCCCC=CCC(O)C(=O)O.
What is the InChIKey of 11-ethoxy-2-hydroxyundec-4-enoic acid?
The InChIKey is RGENNTSPXVUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-2-17-11-9-7-5-3-4-6-8-10-12(14)13(15)16/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,15,16).
What are the key properties of 11-ethoxy-2-hydroxyundec-4-enoic acid?
11-ethoxy-2-hydroxyundec-4-enoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.37, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethoxy-2-hydroxyundec-4-enoic acid is sourced from PubChem (CID 57018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).