1,2-dioctoxy-2,3-dihydroindole

C24H41NO2 — CID 174461848

IUPAC1,2-dioctoxy-2,3-dihydroindole
SMILESCCCCCCCCOC1Cc2ccccc2N1OCCCCCCCC
InChIInChI=1S/C24H41NO2/c1-3-5-7-9-11-15-19-26-24-21-22-17-13-14-18-23(22)25(24)27-20-16-12-10-8-6-4-2/h13-14,17-18,24H,3-12,15-16,19-21H2,1-2H3
InChIKeyRRPMGTXWEKYHBK-UHFFFAOYSA-N
MW375.60 g/mol
LogP7.04
Rot. Bonds16

About 1,2-dioctoxy-2,3-dihydroindole

1,2-dioctoxy-2,3-dihydroindole (PubChem CID 174461848) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 1,2-dioctoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1,2-dioctoxy-2,3-dihydroindole
PubChem CID174461848
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name1,2-dioctoxy-2,3-dihydroindole
SMILESCCCCCCCCOC1Cc2ccccc2N1OCCCCCCCC
InChIInChI=1S/C24H41NO2/c1-3-5-7-9-11-15-19-26-24-21-22-17-13-14-18-23(22)25(24)27-20-16-12-10-8-6-4-2/h13-14,17-18,24H,3-12,15-16,19-21H2,1-2H3
InChIKeyRRPMGTXWEKYHBK-UHFFFAOYSA-N
XLogP7.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioctoxy-2,3-dihydroindole?
The IUPAC name of 1,2-dioctoxy-2,3-dihydroindole (CID 174461848) is 1,2-dioctoxy-2,3-dihydroindole.
What is the SMILES notation for 1,2-dioctoxy-2,3-dihydroindole?
The canonical SMILES for 1,2-dioctoxy-2,3-dihydroindole is CCCCCCCCOC1Cc2ccccc2N1OCCCCCCCC.
What is the InChIKey of 1,2-dioctoxy-2,3-dihydroindole?
The InChIKey is RRPMGTXWEKYHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-5-7-9-11-15-19-26-24-21-22-17-13-14-18-23(22)25(24)27-20-16-12-10-8-6-4-2/h13-14,17-18,24H,3-12,15-16,19-21H2,1-2H3.
What are the key properties of 1,2-dioctoxy-2,3-dihydroindole?
1,2-dioctoxy-2,3-dihydroindole has a molecular weight of 375.60 g/mol, XLogP of 7.04, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioctoxy-2,3-dihydroindole is sourced from PubChem (CID 174461848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).