2,6,10-trimethyldodeca-2,6,11-trienal

C15H24O — CID 57254613

IUPAC2,6,10-trimethyldodeca-2,6,11-trienal
SMILESC=CC(C)CCC=C(C)CCC=C(C)C=O
InChIInChI=1S/C15H24O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-13H,1,6-8,10H2,2-4H3
InChIKeyBVILZYAGPVQPSW-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.46
Rot. Bonds8

About 2,6,10-trimethyldodeca-2,6,11-trienal

2,6,10-trimethyldodeca-2,6,11-trienal (PubChem CID 57254613) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,6,10-trimethyldodeca-2,6,11-trienal.

Molecular Properties

Compound Name2,6,10-trimethyldodeca-2,6,11-trienal
PubChem CID57254613
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,6,10-trimethyldodeca-2,6,11-trienal
SMILESC=CC(C)CCC=C(C)CCC=C(C)C=O
InChIInChI=1S/C15H24O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-13H,1,6-8,10H2,2-4H3
InChIKeyBVILZYAGPVQPSW-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
8,12-dimethyltetradeca-1,3,8,13-tetraene
CID 91474104
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
2,6,11,15-tetramethyl-8-sulfonylhexadeca-2,6,10,14-tetraenedial
CID 142689055
(6Z)-3,7-dimethylundeca-6,10-dienal
CID 175255788
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(6E)-10-ethenyl-2,6,13-trimethyltetradeca-2,6-diene
CID 140642313
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyldodeca-2,6,11-trienal?
The IUPAC name of 2,6,10-trimethyldodeca-2,6,11-trienal (CID 57254613) is 2,6,10-trimethyldodeca-2,6,11-trienal.
What is the SMILES notation for 2,6,10-trimethyldodeca-2,6,11-trienal?
The canonical SMILES for 2,6,10-trimethyldodeca-2,6,11-trienal is C=CC(C)CCC=C(C)CCC=C(C)C=O.
What is the InChIKey of 2,6,10-trimethyldodeca-2,6,11-trienal?
The InChIKey is BVILZYAGPVQPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-13H,1,6-8,10H2,2-4H3.
What are the key properties of 2,6,10-trimethyldodeca-2,6,11-trienal?
2,6,10-trimethyldodeca-2,6,11-trienal has a molecular weight of 220.36 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyldodeca-2,6,11-trienal is sourced from PubChem (CID 57254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).