2-butyldeca-2,3-dienal

C14H24O — CID 15151544

IUPAC2-butyldeca-2,3-dienal
SMILESCCCCCCC=C=C(C=O)CCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10,13H,3-9,11H2,1-2H3
InChIKeyXDYUKJALIKYCGS-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.43
Rot. Bonds9

About 2-butyldeca-2,3-dienal

2-butyldeca-2,3-dienal (PubChem CID 15151544) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-butyldeca-2,3-dienal.

Molecular Properties

Compound Name2-butyldeca-2,3-dienal
PubChem CID15151544
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-butyldeca-2,3-dienal
SMILESCCCCCCC=C=C(C=O)CCCC
InChIInChI=1S/C14H24O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10,13H,3-9,11H2,1-2H3
InChIKeyXDYUKJALIKYCGS-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.43
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dodeca-2,3-dienal
CID 11810769
tetradeca-2,3-dienal
CID 25179784
pentacosa-12,13-diene
CID 174365678
tetracos-1-ene-1,13-dione
CID 173037272
8-methylsulfonylpentadeca-8,9-dienoic acid
CID 141253301
octadeca-5,6-diene
CID 141110817
2-octadecyldocos-2-enal
CID 54072385
2-hexylidenenonanal
CID 54074680
decanal;decane
CID 157361056
pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
dodec-1-ene-1-thione
CID 88799346

Frequently Asked Questions

What is the IUPAC name of 2-butyldeca-2,3-dienal?
The IUPAC name of 2-butyldeca-2,3-dienal (CID 15151544) is 2-butyldeca-2,3-dienal.
What is the SMILES notation for 2-butyldeca-2,3-dienal?
The canonical SMILES for 2-butyldeca-2,3-dienal is CCCCCCC=C=C(C=O)CCCC.
What is the InChIKey of 2-butyldeca-2,3-dienal?
The InChIKey is XDYUKJALIKYCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 2-butyldeca-2,3-dienal?
2-butyldeca-2,3-dienal has a molecular weight of 208.34 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyldeca-2,3-dienal is sourced from PubChem (CID 15151544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).