1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C24H47NO — CID 54374563

IUPAC1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCOCCCCC(C)(C)CC(C)CCCN1CCCC2CCCCC21
InChIInChI=1S/C24H47NO/c1-5-26-19-9-8-16-24(3,4)20-21(2)12-10-17-25-18-11-14-22-13-6-7-15-23(22)25/h21-23H,5-20H2,1-4H3
InChIKeyUVOQXYAHTQLIAM-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.68
Rot. Bonds12

About 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 54374563) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID54374563
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCOCCCCC(C)(C)CC(C)CCCN1CCCC2CCCCC21
InChIInChI=1S/C24H47NO/c1-5-26-19-9-8-16-24(3,4)20-21(2)12-10-17-25-18-11-14-22-13-6-7-15-23(22)25/h21-23H,5-20H2,1-4H3
InChIKeyUVOQXYAHTQLIAM-UHFFFAOYSA-N
XLogP6.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.68
H-Bond Donors ≤ 50
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 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 54374563) is 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCOCCCCC(C)(C)CC(C)CCCN1CCCC2CCCCC21.
What is the InChIKey of 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is UVOQXYAHTQLIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-5-26-19-9-8-16-24(3,4)20-21(2)12-10-17-25-18-11-14-22-13-6-7-15-23(22)25/h21-23H,5-20H2,1-4H3.
What are the key properties of 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 365.65 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-ethoxy-4,6,6-trimethyldecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 54374563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).