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

C20H24O2 — CID 25201897

IUPAC2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial
SMILESCC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3
InChIKeyYHCIKUXPWFLCFN-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.84
Rot. Bonds8

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

2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial (PubChem CID 25201897) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial.

Molecular Properties

Compound Name2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial
PubChem CID25201897
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial
SMILESCC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
InChIInChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3
InChIKeyYHCIKUXPWFLCFN-UHFFFAOYSA-N
XLogP4.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial?
The IUPAC name of 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial (CID 25201897) is 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial.
What is the SMILES notation for 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial?
The canonical SMILES for 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial is CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O.
What is the InChIKey of 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial?
The InChIKey is YHCIKUXPWFLCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3.
What are the key properties of 2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial?
2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedial has a molecular weight of 296.41 g/mol, XLogP of 4.84, 8 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-2,4,6,8,10,12,14-heptaenedial is sourced from PubChem (CID 25201897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).