methyl hexadeca-9,11-dienoate

C17H30O2 — CID 71381501

IUPACmethyl hexadeca-9,11-dienoate
SMILESCCCCC=CC=CCCCCCCCC(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-9H,3-5,10-16H2,1-2H3
InChIKeyJNBOKXJSYUCZSJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.19
Rot. Bonds12

About methyl hexadeca-9,11-dienoate

methyl hexadeca-9,11-dienoate (PubChem CID 71381501) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is methyl hexadeca-9,11-dienoate.

Molecular Properties

Compound Namemethyl hexadeca-9,11-dienoate
PubChem CID71381501
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Namemethyl hexadeca-9,11-dienoate
SMILESCCCCC=CC=CCCCCCCCC(=O)OC
InChIInChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-9H,3-5,10-16H2,1-2H3
InChIKeyJNBOKXJSYUCZSJ-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (9E,11E)-hexadeca-9,11-dienoate
CID 175988172
methyl (9E,11E,13E)-octadeca-9,11,13-trienoate
CID 6433658
methyl (E)-hexadec-11-enoate
CID 5364696
dimethyl (11E,13E,15E,17E,19E,21E)-dotriaconta-11,13,15,17,19,21-hexaenedioate
CID 12073776
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314
methyl (Z)-octadec-12-enoate
CID 12963317
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-12-enoate
CID 5364503
methyl (Z)-octadec-9-enoate;phosphane
CID 175307960
methyl dodec-5-enoate
CID 86010951

Frequently Asked Questions

What is the IUPAC name of methyl hexadeca-9,11-dienoate?
The IUPAC name of methyl hexadeca-9,11-dienoate (CID 71381501) is methyl hexadeca-9,11-dienoate.
What is the SMILES notation for methyl hexadeca-9,11-dienoate?
The canonical SMILES for methyl hexadeca-9,11-dienoate is CCCCC=CC=CCCCCCCCC(=O)OC.
What is the InChIKey of methyl hexadeca-9,11-dienoate?
The InChIKey is JNBOKXJSYUCZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-9H,3-5,10-16H2,1-2H3.
What are the key properties of methyl hexadeca-9,11-dienoate?
methyl hexadeca-9,11-dienoate has a molecular weight of 266.43 g/mol, XLogP of 5.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hexadeca-9,11-dienoate is sourced from PubChem (CID 71381501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).