5-ethylundecanal

C13H26O — CID 54527856

IUPAC5-ethylundecanal
SMILESCCCCCCC(CC)CCCC=O
InChIInChI=1S/C13H26O/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h12-13H,3-11H2,1-2H3
InChIKeyLCFQVVDWQROPQP-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.35
Rot. Bonds10

About 5-ethylundecanal

5-ethylundecanal (PubChem CID 54527856) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 5-ethylundecanal.

Molecular Properties

Compound Name5-ethylundecanal
PubChem CID54527856
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name5-ethylundecanal
SMILESCCCCCCC(CC)CCCC=O
InChIInChI=1S/C13H26O/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h12-13H,3-11H2,1-2H3
InChIKeyLCFQVVDWQROPQP-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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12-ethylhentriacontane
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15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
5,9-dimethylhexadecanal
CID 123900450
7-ethyltridecane;methane
CID 158982306
6-ethyltridec-1-ene
CID 174048481
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
16-ethyldocos-10-ene
CID 91389222

Frequently Asked Questions

What is the IUPAC name of 5-ethylundecanal?
The IUPAC name of 5-ethylundecanal (CID 54527856) is 5-ethylundecanal.
What is the SMILES notation for 5-ethylundecanal?
The canonical SMILES for 5-ethylundecanal is CCCCCCC(CC)CCCC=O.
What is the InChIKey of 5-ethylundecanal?
The InChIKey is LCFQVVDWQROPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-ethylundecanal?
5-ethylundecanal has a molecular weight of 198.35 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylundecanal is sourced from PubChem (CID 54527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).