2-undecylpropanedial

C14H26O2 — CID 20505732

IUPAC2-undecylpropanedial
SMILESCCCCCCCCCCCC(C=O)C=O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12-14H,2-11H2,1H3
InChIKeyZZVVECIISLGLIE-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.92
Rot. Bonds12

About 2-undecylpropanedial

2-undecylpropanedial (PubChem CID 20505732) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-undecylpropanedial.

Molecular Properties

Compound Name2-undecylpropanedial
PubChem CID20505732
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-undecylpropanedial
SMILESCCCCCCCCCCCC(C=O)C=O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12-14H,2-11H2,1H3
InChIKeyZZVVECIISLGLIE-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethenyltridecanal
CID 88845496
2-methyldodecanal
CID 87784106
(2S)-2-fluorohexadecanal
CID 134857256
2-sulfanyltridecanal
CID 134564742
2-aminooctanal
CID 54076326
2-ethylheptadecanal
CID 18629573
3-ethenylnon-1-ene
CID 123641938
2-hexadecylbutanedial
CID 23443177
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
2-dodecylbutanedial
CID 19787656
2-fluorohenicosane
CID 91354486
4-aminopentadecanal
CID 91108576

Frequently Asked Questions

What is the IUPAC name of 2-undecylpropanedial?
The IUPAC name of 2-undecylpropanedial (CID 20505732) is 2-undecylpropanedial.
What is the SMILES notation for 2-undecylpropanedial?
The canonical SMILES for 2-undecylpropanedial is CCCCCCCCCCCC(C=O)C=O.
What is the InChIKey of 2-undecylpropanedial?
The InChIKey is ZZVVECIISLGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(12-15)13-16/h12-14H,2-11H2,1H3.
What are the key properties of 2-undecylpropanedial?
2-undecylpropanedial has a molecular weight of 226.36 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylpropanedial is sourced from PubChem (CID 20505732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).