2-propyldodec-11-enal

C15H28O — CID 142653916

IUPAC2-propyldodec-11-enal
SMILESC=CCCCCCCCCC(C=O)CCC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-13-15(14-16)12-4-2/h3,14-15H,1,4-13H2,2H3
InChIKeyHIPAFLMGJKOUSU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.91
Rot. Bonds12

About 2-propyldodec-11-enal

2-propyldodec-11-enal (PubChem CID 142653916) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-propyldodec-11-enal.

Molecular Properties

Compound Name2-propyldodec-11-enal
PubChem CID142653916
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-propyldodec-11-enal
SMILESC=CCCCCCCCCC(C=O)CCC
InChIInChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-13-15(14-16)12-4-2/h3,14-15H,1,4-13H2,2H3
InChIKeyHIPAFLMGJKOUSU-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.91
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enyloctadecanal
CID 173235739
2-undecylpentadecanedial
CID 91207185
9-propyldodec-1-ene
CID 174048054
2-methylundec-10-enal
CID 547085
13-methylhexadec-1-ene
CID 71373615
9-bromooctadec-1-ene
CID 167439794
14,18,22-trimethylpentacos-1-ene
CID 91259502
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
26-heptadecylnonapentacont-1-ene
CID 123445046
2-propylpentanedial
CID 86120951
9-butyltetracosane;icosane;oct-1-ene
CID 159857155

Frequently Asked Questions

What is the IUPAC name of 2-propyldodec-11-enal?
The IUPAC name of 2-propyldodec-11-enal (CID 142653916) is 2-propyldodec-11-enal.
What is the SMILES notation for 2-propyldodec-11-enal?
The canonical SMILES for 2-propyldodec-11-enal is C=CCCCCCCCCC(C=O)CCC.
What is the InChIKey of 2-propyldodec-11-enal?
The InChIKey is HIPAFLMGJKOUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-7-8-9-10-11-13-15(14-16)12-4-2/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 2-propyldodec-11-enal?
2-propyldodec-11-enal has a molecular weight of 224.39 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyldodec-11-enal is sourced from PubChem (CID 142653916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).