undeca-1,9-dienyl 4-methoxybenzoate

C19H26O3 — CID 54553843

IUPACundeca-1,9-dienyl 4-methoxybenzoate
SMILESCC=CCCCCCCC=COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-16-22-19(20)17-12-14-18(21-2)15-13-17/h3-4,11-16H,5-10H2,1-2H3
InChIKeyZLTXYACCLMQUCX-UHFFFAOYSA-N
MW302.41 g/mol
LogP5.28
Rot. Bonds10

About undeca-1,9-dienyl 4-methoxybenzoate

undeca-1,9-dienyl 4-methoxybenzoate (PubChem CID 54553843) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is undeca-1,9-dienyl 4-methoxybenzoate.

Molecular Properties

Compound Nameundeca-1,9-dienyl 4-methoxybenzoate
PubChem CID54553843
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameundeca-1,9-dienyl 4-methoxybenzoate
SMILESCC=CCCCCCCC=COC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-16-22-19(20)17-12-14-18(21-2)15-13-17/h3-4,11-16H,5-10H2,1-2H3
InChIKeyZLTXYACCLMQUCX-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-oct-1-enyl] 4-methylbenzoate
CID 101221123
[(E)-tridec-1-enyl] 4-hydroxybenzoate
CID 101322280
2-ethoxyethenyl 4-methoxybenzoate
CID 123217452
[(Z)-3-methylbut-1-enyl] 4-methoxybenzoate
CID 135086590
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
(4-methoxyphenyl) 4-oct-2-enoyloxybenzoate
CID 54408453
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
4-pent-1-enoxycarbonylbenzoic acid
CID 139900322
1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
CID 58460828
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
[(1E,9E)-undeca-1,9-dienyl] 3-phenylpropanoate
CID 70225660

Frequently Asked Questions

What is the IUPAC name of undeca-1,9-dienyl 4-methoxybenzoate?
The IUPAC name of undeca-1,9-dienyl 4-methoxybenzoate (CID 54553843) is undeca-1,9-dienyl 4-methoxybenzoate.
What is the SMILES notation for undeca-1,9-dienyl 4-methoxybenzoate?
The canonical SMILES for undeca-1,9-dienyl 4-methoxybenzoate is CC=CCCCCCCC=COC(=O)c1ccc(OC)cc1.
What is the InChIKey of undeca-1,9-dienyl 4-methoxybenzoate?
The InChIKey is ZLTXYACCLMQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-4-5-6-7-8-9-10-11-16-22-19(20)17-12-14-18(21-2)15-13-17/h3-4,11-16H,5-10H2,1-2H3.
What are the key properties of undeca-1,9-dienyl 4-methoxybenzoate?
undeca-1,9-dienyl 4-methoxybenzoate has a molecular weight of 302.41 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,9-dienyl 4-methoxybenzoate is sourced from PubChem (CID 54553843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).