1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C25H48 — CID 143694903

IUPAC1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CC(C(CC(C)C)C(CC)CC(C)CC)C2CCCCC12
InChIInChI=1S/C25H48/c1-7-12-21-17-25(23-14-11-10-13-22(21)23)24(15-18(4)5)20(9-3)16-19(6)8-2/h18-25H,7-17H2,1-6H3
InChIKeyKXTJUCJXTFQTGC-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.35
Rot. Bonds10

About 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 143694903) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID143694903
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCCCC1CC(C(CC(C)C)C(CC)CC(C)CC)C2CCCCC12
InChIInChI=1S/C25H48/c1-7-12-21-17-25(23-14-11-10-13-22(21)23)24(15-18(4)5)20(9-3)16-19(6)8-2/h18-25H,7-17H2,1-6H3
InChIKeyKXTJUCJXTFQTGC-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene 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-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 143694903) is 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CCCC1CC(C(CC(C)C)C(CC)CC(C)CC)C2CCCCC12.
What is the InChIKey of 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is KXTJUCJXTFQTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-7-12-21-17-25(23-14-11-10-13-22(21)23)24(15-18(4)5)20(9-3)16-19(6)8-2/h18-25H,7-17H2,1-6H3.
What are the key properties of 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 348.66 g/mol, XLogP of 8.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,7-dimethylnonan-4-yl)-3-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 143694903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).