(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal

C25H44O2 — CID 56643590

IUPAC(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
SMILESCC/C=C\CC/C=C/C=O.CCCC/C=C\CCCCCCCCCC=O
InChIInChI=1S/C16H30O.C9H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10/h5-6,16H,2-4,7-15H2,1H3;3-4,7-9H,2,5-6H2,1H3/b6-5-;4-3-,8-7+
InChIKeyNMKLCAHTIJHFMD-IZXUNDIASA-N
MW376.63 g/mol
LogP7.93
Rot. Bonds18

About (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal

(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal (PubChem CID 56643590) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal.

Molecular Properties

Compound Name(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
PubChem CID56643590
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
SMILESCC/C=C\CC/C=C/C=O.CCCC/C=C\CCCCCCCCCC=O
InChIInChI=1S/C16H30O.C9H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10/h5-6,16H,2-4,7-15H2,1H3;3-4,7-9H,2,5-6H2,1H3/b6-5-;4-3-,8-7+
InChIKeyNMKLCAHTIJHFMD-IZXUNDIASA-N
XLogP7.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,10Z)-trideca-2,10-dienal
CID 129221038
pentanal;pent-2-enal
CID 159280720
hexadeca-7,11-dienal
CID 543335
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(E)-octadec-13-enal
CID 5367670
(E)-heptadec-14-enal
CID 5367667
pentadeca-2,7-dienal
CID 140791013
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
(2E)-nona-2,6-dienal
CID 6992048

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal?
The IUPAC name of (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal (CID 56643590) is (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal.
What is the SMILES notation for (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal?
The canonical SMILES for (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal is CC/C=C\CC/C=C/C=O.CCCC/C=C\CCCCCCCCCC=O.
What is the InChIKey of (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal?
The InChIKey is NMKLCAHTIJHFMD-IZXUNDIASA-N. The full InChI is InChI=1S/C16H30O.C9H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10/h5-6,16H,2-4,7-15H2,1H3;3-4,7-9H,2,5-6H2,1H3/b6-5-;4-3-,8-7+.
What are the key properties of (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal?
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal has a molecular weight of 376.63 g/mol, XLogP of 7.93, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal is sourced from PubChem (CID 56643590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).