8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol

C26H32N2O — CID 22750441

IUPAC8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol
SMILESCC(CCCC(C)(C)O)CC(C1C=Nc2ccccc21)C1C=Nc2ccccc21
InChIInChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3
InChIKeyQWWDRNFZSAZCQE-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.57
Rot. Bonds8

About 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol

8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol (PubChem CID 22750441) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol
PubChem CID22750441
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol
SMILESCC(CCCC(C)(C)O)CC(C1C=Nc2ccccc21)C1C=Nc2ccccc21
InChIInChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3
InChIKeyQWWDRNFZSAZCQE-UHFFFAOYSA-N
XLogP6.57
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol?
The IUPAC name of 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol (CID 22750441) is 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol.
What is the SMILES notation for 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol?
The canonical SMILES for 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol is CC(CCCC(C)(C)O)CC(C1C=Nc2ccccc21)C1C=Nc2ccccc21.
What is the InChIKey of 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol?
The InChIKey is QWWDRNFZSAZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18(9-8-14-26(2,3)29)15-21(22-16-27-24-12-6-4-10-19(22)24)23-17-28-25-13-7-5-11-20(23)25/h4-7,10-13,16-18,21-23,29H,8-9,14-15H2,1-3H3.
What are the key properties of 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol?
8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol has a molecular weight of 388.56 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 22750441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).