(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene

C20H32 — CID 5384142

IUPAC(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene
SMILESC/C1=C\CC/C(C)=C/CC/C(C)=C/CC(C)(C)/C=C/C1
InChIInChI=1S/C20H32/c1-17-9-6-11-18(2)13-8-15-20(4,5)16-14-19(3)12-7-10-17/h8,10-11,14-15H,6-7,9,12-13,16H2,1-5H3/b15-8+,17-10+,18-11+,19-14+
InChIKeySPMBDLTUBLYRCT-FGMOVADPSA-N
MW272.48 g/mol
LogP6.76
Rot. Bonds

About (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene

(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene (PubChem CID 5384142) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene.

Molecular Properties

Compound Name(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene
PubChem CID5384142
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene
SMILESC/C1=C\CC/C(C)=C/CC/C(C)=C/CC(C)(C)/C=C/C1
InChIInChI=1S/C20H32/c1-17-9-6-11-18(2)13-8-15-20(4,5)16-14-19(3)12-7-10-17/h8,10-11,14-15H,6-7,9,12-13,16H2,1-5H3/b15-8+,17-10+,18-11+,19-14+
InChIKeySPMBDLTUBLYRCT-FGMOVADPSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene?
The IUPAC name of (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene (CID 5384142) is (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene.
What is the SMILES notation for (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene?
The canonical SMILES for (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene is C/C1=C\CC/C(C)=C/CC/C(C)=C/CC(C)(C)/C=C/C1.
What is the InChIKey of (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene?
The InChIKey is SPMBDLTUBLYRCT-FGMOVADPSA-N. The full InChI is InChI=1S/C20H32/c1-17-9-6-11-18(2)13-8-15-20(4,5)16-14-19(3)12-7-10-17/h8,10-11,14-15H,6-7,9,12-13,16H2,1-5H3/b15-8+,17-10+,18-11+,19-14+.
What are the key properties of (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene?
(1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene has a molecular weight of 272.48 g/mol, XLogP of 6.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E,8E,12E)-2,6,6,9,13-pentamethylcyclopentadeca-1,4,8,12-tetraene is sourced from PubChem (CID 5384142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).