1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole

C20H29NO — CID 20653325

IUPAC1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
SMILESC=C(Cc1c(C)n(C)c2c(C)c(C)c(C)c(C)c12)OC(C)C
InChIInChI=1S/C20H29NO/c1-11(2)22-12(3)10-18-17(8)21(9)20-16(7)14(5)13(4)15(6)19(18)20/h11H,3,10H2,1-2,4-9H3
InChIKeyFXFGSSJTZITLID-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.20
Rot. Bonds4

About 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole

1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole (PubChem CID 20653325) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole.

Molecular Properties

Compound Name1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
PubChem CID20653325
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
SMILESC=C(Cc1c(C)n(C)c2c(C)c(C)c(C)c(C)c12)OC(C)C
InChIInChI=1S/C20H29NO/c1-11(2)22-12(3)10-18-17(8)21(9)20-16(7)14(5)13(4)15(6)19(18)20/h11H,3,10H2,1-2,4-9H3
InChIKeyFXFGSSJTZITLID-UHFFFAOYSA-N
XLogP5.20
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole 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 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole?
The IUPAC name of 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole (CID 20653325) is 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole.
What is the SMILES notation for 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole?
The canonical SMILES for 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole is C=C(Cc1c(C)n(C)c2c(C)c(C)c(C)c(C)c12)OC(C)C.
What is the InChIKey of 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole?
The InChIKey is FXFGSSJTZITLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-11(2)22-12(3)10-18-17(8)21(9)20-16(7)14(5)13(4)15(6)19(18)20/h11H,3,10H2,1-2,4-9H3.
What are the key properties of 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole?
1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole has a molecular weight of 299.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole is sourced from PubChem (CID 20653325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).