acetaldehyde;dodecanal

C14H28O2 — CID 163903587

IUPACacetaldehyde;dodecanal
SMILESCC=O.CCCCCCCCCCCC=O
InChIInChI=1S/C12H24O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3/h12H,2-11H2,1H3;2H,1H3
InChIKeyQLYXWTKRCIPYOG-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.31
Rot. Bonds10

About acetaldehyde;dodecanal

acetaldehyde;dodecanal (PubChem CID 163903587) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is acetaldehyde;dodecanal.

Molecular Properties

Compound Nameacetaldehyde;dodecanal
PubChem CID163903587
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nameacetaldehyde;dodecanal
SMILESCC=O.CCCCCCCCCCCC=O
InChIInChI=1S/C12H24O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3/h12H,2-11H2,1H3;2H,1H3
InChIKeyQLYXWTKRCIPYOG-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.31
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

decanal;decane
CID 157361056
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
ruthenium;tridecanal
CID 175429355
calcium;hydride;octanal
CID 173446851
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;dodecanal?
The IUPAC name of acetaldehyde;dodecanal (CID 163903587) is acetaldehyde;dodecanal.
What is the SMILES notation for acetaldehyde;dodecanal?
The canonical SMILES for acetaldehyde;dodecanal is CC=O.CCCCCCCCCCCC=O.
What is the InChIKey of acetaldehyde;dodecanal?
The InChIKey is QLYXWTKRCIPYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3/h12H,2-11H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;dodecanal?
acetaldehyde;dodecanal has a molecular weight of 228.38 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;dodecanal is sourced from PubChem (CID 163903587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).