1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole

C18H23N — CID 6437147

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole
SMILESCC(C)=CCC/C(C)=C/Cn1ccc2ccccc21
InChIInChI=1S/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3/b16-11+
InChIKeyBRAYSEBRLMYPDQ-LFIBNONCSA-N
MW253.39 g/mol
LogP5.33
Rot. Bonds5

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole

1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole (PubChem CID 6437147) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole
PubChem CID6437147
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole
SMILESCC(C)=CCC/C(C)=C/Cn1ccc2ccccc21
InChIInChI=1S/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3/b16-11+
InChIKeyBRAYSEBRLMYPDQ-LFIBNONCSA-N
XLogP5.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole (CID 6437147) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole is CC(C)=CCC/C(C)=C/Cn1ccc2ccccc21.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole?
The InChIKey is BRAYSEBRLMYPDQ-LFIBNONCSA-N. The full InChI is InChI=1S/C18H23N/c1-15(2)7-6-8-16(3)11-13-19-14-12-17-9-4-5-10-18(17)19/h4-5,7,9-12,14H,6,8,13H2,1-3H3/b16-11+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole has a molecular weight of 253.39 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]indole is sourced from PubChem (CID 6437147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).