3-undec-10-en-5-ylphthalic acid

C19H26O4 — CID 175148441

IUPAC3-undec-10-en-5-ylphthalic acid
SMILESC=CCCCCC(CCCC)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C19H26O4/c1-3-5-7-8-11-14(10-6-4-2)15-12-9-13-16(18(20)21)17(15)19(22)23/h3,9,12-14H,1,4-8,10-11H2,2H3,(H,20,21)(H,22,23)
InChIKeyUMUIBPVKKZHGAS-UHFFFAOYSA-N
MW318.41 g/mol
LogP5.10
Rot. Bonds11

About 3-undec-10-en-5-ylphthalic acid

3-undec-10-en-5-ylphthalic acid (PubChem CID 175148441) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 3-undec-10-en-5-ylphthalic acid.

Molecular Properties

Compound Name3-undec-10-en-5-ylphthalic acid
PubChem CID175148441
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name3-undec-10-en-5-ylphthalic acid
SMILESC=CCCCCC(CCCC)c1cccc(C(=O)O)c1C(=O)O
InChIInChI=1S/C19H26O4/c1-3-5-7-8-11-14(10-6-4-2)15-12-9-13-16(18(20)21)17(15)19(22)23/h3,9,12-14H,1,4-8,10-11H2,2H3,(H,20,21)(H,22,23)
InChIKeyUMUIBPVKKZHGAS-UHFFFAOYSA-N
XLogP5.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 3-undec-10-en-5-ylphthalic acid?
The IUPAC name of 3-undec-10-en-5-ylphthalic acid (CID 175148441) is 3-undec-10-en-5-ylphthalic acid.
What is the SMILES notation for 3-undec-10-en-5-ylphthalic acid?
The canonical SMILES for 3-undec-10-en-5-ylphthalic acid is C=CCCCCC(CCCC)c1cccc(C(=O)O)c1C(=O)O.
What is the InChIKey of 3-undec-10-en-5-ylphthalic acid?
The InChIKey is UMUIBPVKKZHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4/c1-3-5-7-8-11-14(10-6-4-2)15-12-9-13-16(18(20)21)17(15)19(22)23/h3,9,12-14H,1,4-8,10-11H2,2H3,(H,20,21)(H,22,23).
What are the key properties of 3-undec-10-en-5-ylphthalic acid?
3-undec-10-en-5-ylphthalic acid has a molecular weight of 318.41 g/mol, XLogP of 5.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-en-5-ylphthalic acid is sourced from PubChem (CID 175148441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).