2-methylundecanal;tetradecanal

C26H52O2 — CID 87951053

IUPAC2-methylundecanal;tetradecanal
SMILESCCCCCCCCCC(C)C=O.CCCCCCCCCCCCCC=O
InChIInChI=1S/C14H28O.C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6-7-8-9-10-12(2)11-13/h14H,2-13H2,1H3;11-12H,3-10H2,1-2H3
InChIKeyQZCAIVHIZFJPML-UHFFFAOYSA-N
MW396.70 g/mol
LogP8.85
Rot. Bonds21

About 2-methylundecanal;tetradecanal

2-methylundecanal;tetradecanal (PubChem CID 87951053) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is 2-methylundecanal;tetradecanal.

Molecular Properties

Compound Name2-methylundecanal;tetradecanal
PubChem CID87951053
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name2-methylundecanal;tetradecanal
SMILESCCCCCCCCCC(C)C=O.CCCCCCCCCCCCCC=O
InChIInChI=1S/C14H28O.C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6-7-8-9-10-12(2)11-13/h14H,2-13H2,1H3;11-12H,3-10H2,1-2H3
InChIKeyQZCAIVHIZFJPML-UHFFFAOYSA-N
XLogP8.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.85
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-methyldecanal;undecanal
CID 159845344
2-methyldodecanal
CID 87784106
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
2-undecylpentadecanedial
CID 91207185
decanal;decane
CID 157361056
10-propan-2-ylnonadecanal
CID 167408636
5,9-dimethylhexadecanal
CID 123900450
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
azane;octadecanal
CID 87079794
tetrakis(rhodium);tridecanal
CID 173078093
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227

Frequently Asked Questions

What is the IUPAC name of 2-methylundecanal;tetradecanal?
The IUPAC name of 2-methylundecanal;tetradecanal (CID 87951053) is 2-methylundecanal;tetradecanal.
What is the SMILES notation for 2-methylundecanal;tetradecanal?
The canonical SMILES for 2-methylundecanal;tetradecanal is CCCCCCCCCC(C)C=O.CCCCCCCCCCCCCC=O.
What is the InChIKey of 2-methylundecanal;tetradecanal?
The InChIKey is QZCAIVHIZFJPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O.C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-4-5-6-7-8-9-10-12(2)11-13/h14H,2-13H2,1H3;11-12H,3-10H2,1-2H3.
What are the key properties of 2-methylundecanal;tetradecanal?
2-methylundecanal;tetradecanal has a molecular weight of 396.70 g/mol, XLogP of 8.85, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundecanal;tetradecanal is sourced from PubChem (CID 87951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).