(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal

C15H24O — CID 132992266

IUPAC(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal
SMILESCC[C@H](C)C[C@H](C)/C=C(C)/C=C/C=C/C=O
InChIInChI=1S/C15H24O/c1-5-13(2)11-15(4)12-14(3)9-7-6-8-10-16/h6-10,12-13,15H,5,11H2,1-4H3/b8-6+,9-7+,14-12+/t13-,15-/m0/s1
InChIKeyRENLPVQENOUFKG-AFMRLSMISA-N
MW220.36 g/mol
LogP4.32
Rot. Bonds7

About (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal

(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal (PubChem CID 132992266) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal
PubChem CID132992266
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal
SMILESCC[C@H](C)C[C@H](C)/C=C(C)/C=C/C=C/C=O
InChIInChI=1S/C15H24O/c1-5-13(2)11-15(4)12-14(3)9-7-6-8-10-16/h6-10,12-13,15H,5,11H2,1-4H3/b8-6+,9-7+,14-12+/t13-,15-/m0/s1
InChIKeyRENLPVQENOUFKG-AFMRLSMISA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E,6E,8E,10S,12S)-8,10,12-trimethyltetradeca-2,4,6,8-tetraenoate
CID 11808426
(1E,3E,5S,7S)-1-iodo-3,5,7-trimethylnona-1,3-diene
CID 10913328
(2E,4E,6E,8E,10E,12E,14S,16S)-10,14,16-trimethyl-12-(phenylmethoxymethyl)octadeca-2,4,6,8,10,12-hexaenal
CID 101352806
(E)-4,6-dimethyloct-2-enal
CID 87291596
4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
CID 54706342
(1R,4S,5R)-4-hydroxy-4-propan-2-yl-1-[(2E,4E,6E,8E,10R,12R)-8,10,12-trimethyltetradeca-2,4,6,8-tetraenoyl]-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 177433531
(2E,4E,6E,8E)-8,10-dimethyldodeca-2,4,6,8-tetraenoic acid;methanesulfonic acid
CID 72707212
5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2E,4E,6E)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2-one
CID 54707557
3,7,10-trimethyldodeca-2,4,6,8-tetraenal
CID 71405843
methyl (2E,4E,7R,8E,10E,14R)-7,9,14-trimethylhexadeca-2,4,8,10-tetraenoate
CID 10902803
6-oxohepta-2,4-dienal
CID 54295604
4,7-dimethylnon-2-enal
CID 91082356

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal?
The IUPAC name of (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal (CID 132992266) is (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal.
What is the SMILES notation for (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal?
The canonical SMILES for (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal is CC[C@H](C)C[C@H](C)/C=C(C)/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal?
The InChIKey is RENLPVQENOUFKG-AFMRLSMISA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(2)11-15(4)12-14(3)9-7-6-8-10-16/h6-10,12-13,15H,5,11H2,1-4H3/b8-6+,9-7+,14-12+/t13-,15-/m0/s1.
What are the key properties of (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal?
(2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal has a molecular weight of 220.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8S,10S)-6,8,10-trimethyldodeca-2,4,6-trienal is sourced from PubChem (CID 132992266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).