2-undecylpentadecanedial

C26H50O2 — CID 91207185

IUPAC2-undecylpentadecanedial
SMILESCCCCCCCCCCCC(C=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C26H50O2/c1-2-3-4-5-6-10-13-16-19-22-26(25-28)23-20-17-14-11-8-7-9-12-15-18-21-24-27/h24-26H,2-23H2,1H3
InChIKeyVBLXXRDFFKNDRY-UHFFFAOYSA-N
MW394.68 g/mol
LogP8.60
Rot. Bonds24

About 2-undecylpentadecanedial

2-undecylpentadecanedial (PubChem CID 91207185) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is 2-undecylpentadecanedial.

Molecular Properties

Compound Name2-undecylpentadecanedial
PubChem CID91207185
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name2-undecylpentadecanedial
SMILESCCCCCCCCCCCC(C=O)CCCCCCCCCCCCC=O
InChIInChI=1S/C26H50O2/c1-2-3-4-5-6-10-13-16-19-22-26(25-28)23-20-17-14-11-8-7-9-12-15-18-21-24-27/h24-26H,2-23H2,1H3
InChIKeyVBLXXRDFFKNDRY-UHFFFAOYSA-N
XLogP8.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 58.60
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

2-hexadecylbutanedial
CID 23443177
2-dodecylbutanedial
CID 19787656
decanal;decane
CID 157361056
2-methylundecanal;tetradecanal
CID 87951053
2-methyldecanal;undecanal
CID 159845344
2-ethylheptadecanal
CID 18629573
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235
ruthenium;tridecanal
CID 175429355
2-(6-chlorohexyl)dodecanal
CID 175197438

Frequently Asked Questions

What is the IUPAC name of 2-undecylpentadecanedial?
The IUPAC name of 2-undecylpentadecanedial (CID 91207185) is 2-undecylpentadecanedial.
What is the SMILES notation for 2-undecylpentadecanedial?
The canonical SMILES for 2-undecylpentadecanedial is CCCCCCCCCCCC(C=O)CCCCCCCCCCCCC=O.
What is the InChIKey of 2-undecylpentadecanedial?
The InChIKey is VBLXXRDFFKNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2/c1-2-3-4-5-6-10-13-16-19-22-26(25-28)23-20-17-14-11-8-7-9-12-15-18-21-24-27/h24-26H,2-23H2,1H3.
What are the key properties of 2-undecylpentadecanedial?
2-undecylpentadecanedial has a molecular weight of 394.68 g/mol, XLogP of 8.60, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecylpentadecanedial is sourced from PubChem (CID 91207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).