2-methyl-2-octa-2,6-dienoxypropanal

C12H20O2 — CID 141039739

IUPAC2-methyl-2-octa-2,6-dienoxypropanal
SMILESCC=CCCC=CCOC(C)(C)C=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-14-12(2,3)11-13/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyJMAJDXQIXOKALC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds7

About 2-methyl-2-octa-2,6-dienoxypropanal

2-methyl-2-octa-2,6-dienoxypropanal (PubChem CID 141039739) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-2-octa-2,6-dienoxypropanal.

Molecular Properties

Compound Name2-methyl-2-octa-2,6-dienoxypropanal
PubChem CID141039739
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methyl-2-octa-2,6-dienoxypropanal
SMILESCC=CCCC=CCOC(C)(C)C=O
InChIInChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-14-12(2,3)11-13/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyJMAJDXQIXOKALC-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(((2E)-3,7-Dimethyl-2,6-octadien-1-yl)oxy)acetaldehyde
CID 6436989
Acetaldehyde, ((3,7-dimethyl-2,6-octadienyl)oxy)-
CID 103378
2-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 155943340
1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-methylpropanal
CID 88042700
5,5-Diformylfuran
CID 134539122
2-Methyl-2-(3-methylbut-2-enoxy)propanal
CID 85908270
5-Acetyl-5-methylfuran
CID 162640210
1,4-Dipropoxybenzaldehyde
CID 20571333
2-(3,5-Dimethylhex-3-en-2-yloxy)-2-methylpropanal
CID 85957761
(E)-5-methoxy-5-methylhept-3-enal
CID 87291008
(E)-5-methoxy-2-methylhept-3-enal
CID 87291081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-octa-2,6-dienoxypropanal?
The IUPAC name of 2-methyl-2-octa-2,6-dienoxypropanal (CID 141039739) is 2-methyl-2-octa-2,6-dienoxypropanal.
What is the SMILES notation for 2-methyl-2-octa-2,6-dienoxypropanal?
The canonical SMILES for 2-methyl-2-octa-2,6-dienoxypropanal is CC=CCCC=CCOC(C)(C)C=O.
What is the InChIKey of 2-methyl-2-octa-2,6-dienoxypropanal?
The InChIKey is JMAJDXQIXOKALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10-14-12(2,3)11-13/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-2-octa-2,6-dienoxypropanal?
2-methyl-2-octa-2,6-dienoxypropanal has a molecular weight of 196.29 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-octa-2,6-dienoxypropanal is sourced from PubChem (CID 141039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).