2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene

C17H24 — CID 173202075

IUPAC2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
SMILESCC(C)=CC=CC=CC=CC=C(C)C=C(C)C
InChIInChI=1S/C17H24/c1-15(2)12-10-8-6-7-9-11-13-17(5)14-16(3)4/h6-14H,1-5H3
InChIKeyVSPPBPLDNQLGKO-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.53
Rot. Bonds5

About 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene

2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene (PubChem CID 173202075) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene.

Molecular Properties

Compound Name2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
PubChem CID173202075
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
SMILESCC(C)=CC=CC=CC=CC=C(C)C=C(C)C
InChIInChI=1S/C17H24/c1-15(2)12-10-8-6-7-9-11-13-17(5)14-16(3)4/h6-14H,1-5H3
InChIKeyVSPPBPLDNQLGKO-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.53
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 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene?
The IUPAC name of 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene (CID 173202075) is 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene.
What is the SMILES notation for 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene?
The canonical SMILES for 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene is CC(C)=CC=CC=CC=CC=C(C)C=C(C)C.
What is the InChIKey of 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene?
The InChIKey is VSPPBPLDNQLGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-15(2)12-10-8-6-7-9-11-13-17(5)14-16(3)4/h6-14H,1-5H3.
What are the key properties of 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene?
2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene has a molecular weight of 228.38 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene is sourced from PubChem (CID 173202075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).