(E)-5-methoxy-2,4-dimethyloct-2-enal

C11H20O2 — CID 87290910

IUPAC(E)-5-methoxy-2,4-dimethyloct-2-enal
SMILESCCCC(OC)C(C)/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-5-6-11(13-4)10(3)7-9(2)8-12/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyVDJXWJYJORRZAI-VQHVLOKHSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds6

About (E)-5-methoxy-2,4-dimethyloct-2-enal

(E)-5-methoxy-2,4-dimethyloct-2-enal (PubChem CID 87290910) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-methoxy-2,4-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-5-methoxy-2,4-dimethyloct-2-enal
PubChem CID87290910
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-5-methoxy-2,4-dimethyloct-2-enal
SMILESCCCC(OC)C(C)/C=C(\C)C=O
InChIInChI=1S/C11H20O2/c1-5-6-11(13-4)10(3)7-9(2)8-12/h7-8,10-11H,5-6H2,1-4H3/b9-7+
InChIKeyVDJXWJYJORRZAI-VQHVLOKHSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-2,4-dimethyloct-2-enal?
The IUPAC name of (E)-5-methoxy-2,4-dimethyloct-2-enal (CID 87290910) is (E)-5-methoxy-2,4-dimethyloct-2-enal.
What is the SMILES notation for (E)-5-methoxy-2,4-dimethyloct-2-enal?
The canonical SMILES for (E)-5-methoxy-2,4-dimethyloct-2-enal is CCCC(OC)C(C)/C=C(\C)C=O.
What is the InChIKey of (E)-5-methoxy-2,4-dimethyloct-2-enal?
The InChIKey is VDJXWJYJORRZAI-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-6-11(13-4)10(3)7-9(2)8-12/h7-8,10-11H,5-6H2,1-4H3/b9-7+.
What are the key properties of (E)-5-methoxy-2,4-dimethyloct-2-enal?
(E)-5-methoxy-2,4-dimethyloct-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-2,4-dimethyloct-2-enal is sourced from PubChem (CID 87290910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).