2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene

C19H26 — CID 173202044

IUPAC2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
SMILESCC(C)=CC=CC=CC=CC=CC=C(C)C=C(C)C
InChIInChI=1S/C19H26/c1-17(2)14-12-10-8-6-7-9-11-13-15-19(5)16-18(3)4/h6-16H,1-5H3
InChIKeyNJPTZGXWOQVGTR-UHFFFAOYSA-N
MW254.42 g/mol
LogP6.09
Rot. Bonds6

About 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene

2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene (PubChem CID 173202044) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
PubChem CID173202044
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
SMILESCC(C)=CC=CC=CC=CC=CC=C(C)C=C(C)C
InChIInChI=1S/C19H26/c1-17(2)14-12-10-8-6-7-9-11-13-15-19(5)16-18(3)4/h6-16H,1-5H3
InChIKeyNJPTZGXWOQVGTR-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene (CID 173202044) is 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene is CC(C)=CC=CC=CC=CC=CC=C(C)C=C(C)C.
What is the InChIKey of 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is NJPTZGXWOQVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-17(2)14-12-10-8-6-7-9-11-13-15-19(5)16-18(3)4/h6-16H,1-5H3.
What are the key properties of 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene?
2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 254.42 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 173202044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).