5-methoxy-3-methylnon-3-enal

C11H20O2 — CID 123839970

IUPAC5-methoxy-3-methylnon-3-enal
SMILESCCCCC(C=C(C)CC=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h8-9,11H,4-7H2,1-3H3
InChIKeySYVUKKQLAOIGAJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds7

About 5-methoxy-3-methylnon-3-enal

5-methoxy-3-methylnon-3-enal (PubChem CID 123839970) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methoxy-3-methylnon-3-enal.

Molecular Properties

Compound Name5-methoxy-3-methylnon-3-enal
PubChem CID123839970
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methoxy-3-methylnon-3-enal
SMILESCCCCC(C=C(C)CC=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h8-9,11H,4-7H2,1-3H3
InChIKeySYVUKKQLAOIGAJ-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylnon-3-enal?
The IUPAC name of 5-methoxy-3-methylnon-3-enal (CID 123839970) is 5-methoxy-3-methylnon-3-enal.
What is the SMILES notation for 5-methoxy-3-methylnon-3-enal?
The canonical SMILES for 5-methoxy-3-methylnon-3-enal is CCCCC(C=C(C)CC=O)OC.
What is the InChIKey of 5-methoxy-3-methylnon-3-enal?
The InChIKey is SYVUKKQLAOIGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-11(13-3)9-10(2)7-8-12/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-methoxy-3-methylnon-3-enal?
5-methoxy-3-methylnon-3-enal has a molecular weight of 184.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylnon-3-enal is sourced from PubChem (CID 123839970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).