2-methoxytetradec-6-enoic acid

C15H28O3 — CID 85373955

IUPAC2-methoxytetradec-6-enoic acid
SMILESCCCCCCCC=CCCCC(OC)C(=O)O
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17)
InChIKeyGEIRCFOBQDWARB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.17
Rot. Bonds12

About 2-methoxytetradec-6-enoic acid

2-methoxytetradec-6-enoic acid (PubChem CID 85373955) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methoxytetradec-6-enoic acid.

Molecular Properties

Compound Name2-methoxytetradec-6-enoic acid
PubChem CID85373955
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-methoxytetradec-6-enoic acid
SMILESCCCCCCCC=CCCCC(OC)C(=O)O
InChIInChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17)
InChIKeyGEIRCFOBQDWARB-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxytetradec-6-enoic acid?
The IUPAC name of 2-methoxytetradec-6-enoic acid (CID 85373955) is 2-methoxytetradec-6-enoic acid.
What is the SMILES notation for 2-methoxytetradec-6-enoic acid?
The canonical SMILES for 2-methoxytetradec-6-enoic acid is CCCCCCCC=CCCCC(OC)C(=O)O.
What is the InChIKey of 2-methoxytetradec-6-enoic acid?
The InChIKey is GEIRCFOBQDWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h9-10,14H,3-8,11-13H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxytetradec-6-enoic acid?
2-methoxytetradec-6-enoic acid has a molecular weight of 256.39 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxytetradec-6-enoic acid is sourced from PubChem (CID 85373955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).