(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal

C13H20O2 — CID 143543836

IUPAC(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal
SMILESC=C/C(=C\C=C(\C)COC)CCCC=O
InChIInChI=1S/C13H20O2/c1-4-13(7-5-6-10-14)9-8-12(2)11-15-3/h4,8-10H,1,5-7,11H2,2-3H3/b12-8-,13-9+
InChIKeyJUJKQEFAIFEKES-QRBCZBMESA-N
MW208.30 g/mol
LogP3.06
Rot. Bonds8

About (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal

(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal (PubChem CID 143543836) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal.

Molecular Properties

Compound Name(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal
PubChem CID143543836
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal
SMILESC=C/C(=C\C=C(\C)COC)CCCC=O
InChIInChI=1S/C13H20O2/c1-4-13(7-5-6-10-14)9-8-12(2)11-15-3/h4,8-10H,1,5-7,11H2,2-3H3/b12-8-,13-9+
InChIKeyJUJKQEFAIFEKES-QRBCZBMESA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.06
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-8-methoxy-3,7-dimethyloct-6-enal
CID 86734392
3-Propylnona-3,6-dienedial
CID 123487393
2-(3-Fluoro-4-methoxy-6-methylcyclohepta-1,3,5-trien-1-yl)acetaldehyde
CID 143713023
(E)-9-methoxynon-7-enal
CID 13751118
(E)-8-methoxy-2-methyloct-6-enal
CID 13751119
(6E,8E)-7,8-dimethyldeca-6,8-dienal
CID 18719775
(E)-7-methoxyhept-5-enal
CID 20209226
(E)-8-methoxyoct-6-enal
CID 20209229
(E)-10-methoxydec-8-enal
CID 20209230
9-Methoxynon-7-enal
CID 53763026
8-Methoxyoct-6-enal
CID 54082373
8-Methoxy-2-methyloct-6-enal
CID 54183745

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal?
The IUPAC name of (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal (CID 143543836) is (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal.
What is the SMILES notation for (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal?
The canonical SMILES for (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal is C=C/C(=C\C=C(\C)COC)CCCC=O.
What is the InChIKey of (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal?
The InChIKey is JUJKQEFAIFEKES-QRBCZBMESA-N. The full InChI is InChI=1S/C13H20O2/c1-4-13(7-5-6-10-14)9-8-12(2)11-15-3/h4,8-10H,1,5-7,11H2,2-3H3/b12-8-,13-9+.
What are the key properties of (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal?
(5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal has a molecular weight of 208.30 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-ethenyl-9-methoxy-8-methylnona-5,7-dienal is sourced from PubChem (CID 143543836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).