(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

C17H32 — CID 57210589

IUPAC(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCC(C)CC1CC[C@H]2C(C)(C)CCC[C@]2(C)C1
InChIInChI=1S/C17H32/c1-13(2)11-14-7-8-15-16(3,4)9-6-10-17(15,5)12-14/h13-15H,6-12H2,1-5H3/t14?,15-,17+/m0/s1
InChIKeyWGJCQSFBVSAQIY-IGGKNEPZSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds2

About (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 57210589) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID57210589
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCC(C)CC1CC[C@H]2C(C)(C)CCC[C@]2(C)C1
InChIInChI=1S/C17H32/c1-13(2)11-14-7-8-15-16(3,4)9-6-10-17(15,5)12-14/h13-15H,6-12H2,1-5H3/t14?,15-,17+/m0/s1
InChIKeyWGJCQSFBVSAQIY-IGGKNEPZSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene 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

(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
CID 78109943
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2,5,5,8a-tetramethyl-1-(2-methylpropyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162276385
2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 14264198
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(4aS,7S,8aR)-4,4,7,8a-tetramethyl-7-propoxy-2,3,4a,5,6,8-hexahydro-1H-naphthalene
CID 167101615
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
(3aS,7aS)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-ol
CID 71553283
ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 144517387
4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene
CID 166035433

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 57210589) is (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is CC(C)CC1CC[C@H]2C(C)(C)CCC[C@]2(C)C1.
What is the InChIKey of (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is WGJCQSFBVSAQIY-IGGKNEPZSA-N. The full InChI is InChI=1S/C17H32/c1-13(2)11-14-7-8-15-16(3,4)9-6-10-17(15,5)12-14/h13-15H,6-12H2,1-5H3/t14?,15-,17+/m0/s1.
What are the key properties of (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 236.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 57210589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).