8-methoxy-2,7-dimethyldeca-2,4,6-trienal

C13H20O2 — CID 175845781

IUPAC8-methoxy-2,7-dimethyldeca-2,4,6-trienal
SMILESCCC(OC)C(C)=CC=CC=C(C)C=O
InChIInChI=1S/C13H20O2/c1-5-13(15-4)12(3)9-7-6-8-11(2)10-14/h6-10,13H,5H2,1-4H3
InChIKeyMGVBOBHGMOPNOF-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.06
Rot. Bonds6

About 8-methoxy-2,7-dimethyldeca-2,4,6-trienal

8-methoxy-2,7-dimethyldeca-2,4,6-trienal (PubChem CID 175845781) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-methoxy-2,7-dimethyldeca-2,4,6-trienal.

Molecular Properties

Compound Name8-methoxy-2,7-dimethyldeca-2,4,6-trienal
PubChem CID175845781
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-methoxy-2,7-dimethyldeca-2,4,6-trienal
SMILESCCC(OC)C(C)=CC=CC=C(C)C=O
InChIInChI=1S/C13H20O2/c1-5-13(15-4)12(3)9-7-6-8-11(2)10-14/h6-10,13H,5H2,1-4H3
InChIKeyMGVBOBHGMOPNOF-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Madolin L
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Madolin M
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(2E,6E)-8-methoxy-2,6-dimethylocta-2,6-dienal
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3-(1-Hexenyl)-5-methyl-2-(5h)-furanone
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3h-Vanilline
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4-Fluoro-3,4-dimethoxycyclohexa-1,5-diene-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,7-dimethyldeca-2,4,6-trienal?
The IUPAC name of 8-methoxy-2,7-dimethyldeca-2,4,6-trienal (CID 175845781) is 8-methoxy-2,7-dimethyldeca-2,4,6-trienal.
What is the SMILES notation for 8-methoxy-2,7-dimethyldeca-2,4,6-trienal?
The canonical SMILES for 8-methoxy-2,7-dimethyldeca-2,4,6-trienal is CCC(OC)C(C)=CC=CC=C(C)C=O.
What is the InChIKey of 8-methoxy-2,7-dimethyldeca-2,4,6-trienal?
The InChIKey is MGVBOBHGMOPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-13(15-4)12(3)9-7-6-8-11(2)10-14/h6-10,13H,5H2,1-4H3.
What are the key properties of 8-methoxy-2,7-dimethyldeca-2,4,6-trienal?
8-methoxy-2,7-dimethyldeca-2,4,6-trienal has a molecular weight of 208.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,7-dimethyldeca-2,4,6-trienal is sourced from PubChem (CID 175845781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).