(E)-5-methoxy-8-methylnon-3-enal

C11H20O2 — CID 87290852

IUPAC(E)-5-methoxy-8-methylnon-3-enal
SMILESCOC(/C=C/CC=O)CCC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7-8-11(13-3)6-4-5-9-12/h4,6,9-11H,5,7-8H2,1-3H3/b6-4+
InChIKeyRRZKMMCJYGSKGT-GQCTYLIASA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds7

About (E)-5-methoxy-8-methylnon-3-enal

(E)-5-methoxy-8-methylnon-3-enal (PubChem CID 87290852) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-methoxy-8-methylnon-3-enal.

Molecular Properties

Compound Name(E)-5-methoxy-8-methylnon-3-enal
PubChem CID87290852
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-methoxy-8-methylnon-3-enal
SMILESCOC(/C=C/CC=O)CCC(C)C
InChIInChI=1S/C11H20O2/c1-10(2)7-8-11(13-3)6-4-5-9-12/h4,6,9-11H,5,7-8H2,1-3H3/b6-4+
InChIKeyRRZKMMCJYGSKGT-GQCTYLIASA-N
XLogP2.58
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 ≤ 52.58
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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Related Compounds

5-Methoxy-4-methylnon-3-enal
CID 87291586
5-Methoxy-3-methylnon-3-enal
CID 87291930
5-Methoxy-7-methylnon-3-enal
CID 87292181
(1R,2S)-2-methoxycyclohex-3-ene-1-carbaldehyde
CID 96006099
(1R,2S,6S)-2-methoxy-6-methylcyclohex-3-ene-1-carbaldehyde
CID 134979526
[(E)-7-methyloct-2-en-4-yl] acetate
CID 13346338
(E)-8-methoxy-2-methyloct-6-enal
CID 13751119
2-Methoxycyclohex-3-ene-1-carbaldehyde
CID 14110993
8-Methoxy-2-methyloct-6-enal
CID 54183745
2-Ethoxycyclohex-3-ene-1-carbaldehyde
CID 78063313
(E)-5-methoxy-6-methyloct-3-enal
CID 87290879
(E)-5-methoxy-8-methylnon-3-en-2-one
CID 87290947

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-8-methylnon-3-enal?
The IUPAC name of (E)-5-methoxy-8-methylnon-3-enal (CID 87290852) is (E)-5-methoxy-8-methylnon-3-enal.
What is the SMILES notation for (E)-5-methoxy-8-methylnon-3-enal?
The canonical SMILES for (E)-5-methoxy-8-methylnon-3-enal is COC(/C=C/CC=O)CCC(C)C.
What is the InChIKey of (E)-5-methoxy-8-methylnon-3-enal?
The InChIKey is RRZKMMCJYGSKGT-GQCTYLIASA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)7-8-11(13-3)6-4-5-9-12/h4,6,9-11H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of (E)-5-methoxy-8-methylnon-3-enal?
(E)-5-methoxy-8-methylnon-3-enal has a molecular weight of 184.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-8-methylnon-3-enal is sourced from PubChem (CID 87290852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).