6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol

C20H39NO — CID 20543080

IUPAC6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol
SMILESCCC1(C)C(C)C(C)C2CCCCC2N1CCCCCCO
InChIInChI=1S/C20H39NO/c1-5-20(4)17(3)16(2)18-12-8-9-13-19(18)21(20)14-10-6-7-11-15-22/h16-19,22H,5-15H2,1-4H3
InChIKeyKFDJBIJSFXFKIF-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.85
Rot. Bonds7

About 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol

6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol (PubChem CID 20543080) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol
PubChem CID20543080
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol
SMILESCCC1(C)C(C)C(C)C2CCCCC2N1CCCCCCO
InChIInChI=1S/C20H39NO/c1-5-20(4)17(3)16(2)18-12-8-9-13-19(18)21(20)14-10-6-7-11-15-22/h16-19,22H,5-15H2,1-4H3
InChIKeyKFDJBIJSFXFKIF-UHFFFAOYSA-N
XLogP4.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol?
The IUPAC name of 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol (CID 20543080) is 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol?
The canonical SMILES for 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol is CCC1(C)C(C)C(C)C2CCCCC2N1CCCCCCO.
What is the InChIKey of 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol?
The InChIKey is KFDJBIJSFXFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-5-20(4)17(3)16(2)18-12-8-9-13-19(18)21(20)14-10-6-7-11-15-22/h16-19,22H,5-15H2,1-4H3.
What are the key properties of 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol?
6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol has a molecular weight of 309.54 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-2,3,4-trimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-1-yl)hexan-1-ol is sourced from PubChem (CID 20543080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).