5-methoxynona-3,5-dienal

C10H16O2 — CID 123159733

IUPAC5-methoxynona-3,5-dienal
SMILESCCCC=C(C=CCC=O)OC
InChIInChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyOUDZQFQNYJDTPK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds6

About 5-methoxynona-3,5-dienal

5-methoxynona-3,5-dienal (PubChem CID 123159733) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methoxynona-3,5-dienal.

Molecular Properties

Compound Name5-methoxynona-3,5-dienal
PubChem CID123159733
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methoxynona-3,5-dienal
SMILESCCCC=C(C=CCC=O)OC
InChIInChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h5,7-9H,3-4,6H2,1-2H3
InChIKeyOUDZQFQNYJDTPK-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E)-4-fluoro-6-methoxynona-4,6,8-trien-2-one
CID 145572331
(4Z)-4-fluoro-5-methoxyhepta-4,6-dienal
CID 156173671
(2Z,4E,6Z)-4-fluoro-5-methoxy-3-(2-methylprop-1-enyl)-2-[(E)-pent-1-enyl]nona-2,4,6,8-tetraenal
CID 163390902
4-Methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 12679832
(E)-oct-4-en-3-one;2H-pyran
CID 23337716
oct-4-en-3-one;2H-pyran
CID 70592874
(E)-5-methoxy-5-methylhept-3-enal
CID 87291008
(E)-5-methoxyhept-3-enal
CID 87291017
(E)-5-methoxy-2-methylhept-3-enal
CID 87291081
(E)-5-methoxyoct-3-enal
CID 87291984
4-Methoxy-6-(oxomethylidene)cyclohexa-2,4-diene-1-carbaldehyde
CID 88120255
(3Z,5E)-5-methoxy-2-methylidenehepta-3,5-dienal
CID 88558378

Frequently Asked Questions

What is the IUPAC name of 5-methoxynona-3,5-dienal?
The IUPAC name of 5-methoxynona-3,5-dienal (CID 123159733) is 5-methoxynona-3,5-dienal.
What is the SMILES notation for 5-methoxynona-3,5-dienal?
The canonical SMILES for 5-methoxynona-3,5-dienal is CCCC=C(C=CCC=O)OC.
What is the InChIKey of 5-methoxynona-3,5-dienal?
The InChIKey is OUDZQFQNYJDTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 5-methoxynona-3,5-dienal?
5-methoxynona-3,5-dienal has a molecular weight of 168.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynona-3,5-dienal is sourced from PubChem (CID 123159733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).