9-[(2-methylpropan-2-yl)oxy]non-2-enal

C13H24O2 — CID 54430150

IUPAC9-[(2-methylpropan-2-yl)oxy]non-2-enal
SMILESCC(C)(C)OCCCCCCC=CC=O
InChIInChI=1S/C13H24O2/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h7,9,11H,4-6,8,10,12H2,1-3H3
InChIKeyWGXNBWHVSNYYLD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.51
Rot. Bonds8

About 9-[(2-methylpropan-2-yl)oxy]non-2-enal

9-[(2-methylpropan-2-yl)oxy]non-2-enal (PubChem CID 54430150) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 9-[(2-methylpropan-2-yl)oxy]non-2-enal.

Molecular Properties

Compound Name9-[(2-methylpropan-2-yl)oxy]non-2-enal
PubChem CID54430150
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name9-[(2-methylpropan-2-yl)oxy]non-2-enal
SMILESCC(C)(C)OCCCCCCC=CC=O
InChIInChI=1S/C13H24O2/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h7,9,11H,4-6,8,10,12H2,1-3H3
InChIKeyWGXNBWHVSNYYLD-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpropan-2-yl)oxy]non-2-enal?
The IUPAC name of 9-[(2-methylpropan-2-yl)oxy]non-2-enal (CID 54430150) is 9-[(2-methylpropan-2-yl)oxy]non-2-enal.
What is the SMILES notation for 9-[(2-methylpropan-2-yl)oxy]non-2-enal?
The canonical SMILES for 9-[(2-methylpropan-2-yl)oxy]non-2-enal is CC(C)(C)OCCCCCCC=CC=O.
What is the InChIKey of 9-[(2-methylpropan-2-yl)oxy]non-2-enal?
The InChIKey is WGXNBWHVSNYYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(2,3)15-12-10-8-6-4-5-7-9-11-14/h7,9,11H,4-6,8,10,12H2,1-3H3.
What are the key properties of 9-[(2-methylpropan-2-yl)oxy]non-2-enal?
9-[(2-methylpropan-2-yl)oxy]non-2-enal has a molecular weight of 212.33 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpropan-2-yl)oxy]non-2-enal is sourced from PubChem (CID 54430150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).