2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C25H44 — CID 166038561

IUPAC2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC(CCCCCC3CCCC4CC(C)CC34)C2C1
InChIInChI=1S/C25H44/c1-18-14-22-12-6-10-20(24(22)16-18)8-4-3-5-9-21-11-7-13-23-15-19(2)17-25(21)23/h18-25H,3-17H2,1-2H3
InChIKeyMOAKCCLEWJPNLF-UHFFFAOYSA-N
MW344.63 g/mol
LogP7.86
Rot. Bonds6

About 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 166038561) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID166038561
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC2CCCC(CCCCCC3CCCC4CC(C)CC34)C2C1
InChIInChI=1S/C25H44/c1-18-14-22-12-6-10-20(24(22)16-18)8-4-3-5-9-21-11-7-13-23-15-19(2)17-25(21)23/h18-25H,3-17H2,1-2H3
InChIKeyMOAKCCLEWJPNLF-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-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

Related Compounds

7-butyl-1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 53438681
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
4-cyclopentyl-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 172615234
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
4-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propane
CID 172615254
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane
CID 91227488
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 166038561) is 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC2CCCC(CCCCCC3CCCC4CC(C)CC34)C2C1.
What is the InChIKey of 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is MOAKCCLEWJPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-18-14-22-12-6-10-20(24(22)16-18)8-4-3-5-9-21-11-7-13-23-15-19(2)17-25(21)23/h18-25H,3-17H2,1-2H3.
What are the key properties of 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 344.63 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 166038561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).