acetaldehyde;undecan-2-one

C13H26O2 — CID 87112507

IUPACacetaldehyde;undecan-2-one
SMILESCC=O.CCCCCCCCCC(C)=O
InChIInChI=1S/C11H22O.C2H4O/c1-3-4-5-6-7-8-9-10-11(2)12;1-2-3/h3-10H2,1-2H3;2H,1H3
InChIKeyFHTVFJLKUFDRQT-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.92
Rot. Bonds8

About acetaldehyde;undecan-2-one

acetaldehyde;undecan-2-one (PubChem CID 87112507) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is acetaldehyde;undecan-2-one.

Molecular Properties

Compound Nameacetaldehyde;undecan-2-one
PubChem CID87112507
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Nameacetaldehyde;undecan-2-one
SMILESCC=O.CCCCCCCCCC(C)=O
InChIInChI=1S/C11H22O.C2H4O/c1-3-4-5-6-7-8-9-10-11(2)12;1-2-3/h3-10H2,1-2H3;2H,1H3
InChIKeyFHTVFJLKUFDRQT-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.92
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'}

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Related Compounds

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nonan-2-one
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decan-2-one
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CID 529806
docosan-2-one
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nonatriacontan-2-one
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methanol;octan-2-one
CID 158579665
octan-2-one;platinum
CID 174910160
methane;octan-2-one
CID 159061487
nickel;octan-2-one
CID 174810035
sodium;ethane;heptadecan-2-one
CID 167668217
formaldehyde;octan-2-one
CID 22056500

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;undecan-2-one?
The IUPAC name of acetaldehyde;undecan-2-one (CID 87112507) is acetaldehyde;undecan-2-one.
What is the SMILES notation for acetaldehyde;undecan-2-one?
The canonical SMILES for acetaldehyde;undecan-2-one is CC=O.CCCCCCCCCC(C)=O.
What is the InChIKey of acetaldehyde;undecan-2-one?
The InChIKey is FHTVFJLKUFDRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.C2H4O/c1-3-4-5-6-7-8-9-10-11(2)12;1-2-3/h3-10H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;undecan-2-one?
acetaldehyde;undecan-2-one has a molecular weight of 214.35 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;undecan-2-one is sourced from PubChem (CID 87112507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).