2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial

C20H22O2 — CID 76625907

IUPAC2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial
SMILESCC(C=CC=C(C)C=O)=CC#CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H22O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h7-16H,1-4H3
InChIKeyWMMJPAOSDUSZRK-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.29
Rot. Bonds6

About 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial

2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial (PubChem CID 76625907) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial.

Molecular Properties

Compound Name2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial
PubChem CID76625907
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial
SMILESCC(C=CC=C(C)C=O)=CC#CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H22O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h7-16H,1-4H3
InChIKeyWMMJPAOSDUSZRK-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecaenedial
CID 102290425
(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 22096555
(2E,4E,6E)-2,7-di((113C)methyl)(1,2,3,4,5,6,7,8-13C8)octa-2,4,6-trienedial
CID 10975976
(2E,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial;(2Z,4E,6Z)-2,7-dimethylocta-2,4,6-trienedial
CID 158860721
(2E,4Z)-6-chloro-2-methylhepta-2,4,6-trienal
CID 170108495
3,7,11-trimethyldodeca-2,4,6,8,10-pentaenal
CID 54453652
(3,7-dimethyl-8-oxoocta-2,4,6-trienyl) acetate
CID 54347723
6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
CID 6444106
ethyl (2E,4E)-5-methyl-6-oxohexa-2,4-dienoate
CID 15397000
2,6-dimethylhepta-2,4-dienal
CID 171535580
(2Z,4E)-3-methyl-6-oxohexa-2,4-dienenitrile
CID 138971117
4-methylocta-2,4,6-trienedial
CID 74956406

Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial?
The IUPAC name of 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial (CID 76625907) is 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial.
What is the SMILES notation for 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial?
The canonical SMILES for 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial is CC(C=CC=C(C)C=O)=CC#CC=C(C)C=CC=C(C)C=O.
What is the InChIKey of 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial?
The InChIKey is WMMJPAOSDUSZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h7-16H,1-4H3.
What are the key properties of 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial?
2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial has a molecular weight of 294.39 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetramethylhexadeca-2,4,6,10,12,14-hexaen-8-ynedial is sourced from PubChem (CID 76625907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).