(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene

C17H24 — CID 162292793

IUPAC(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
SMILESCc1cc2c(c(C)c1C)C[C@@H]1CCCC[C@@H]1C2
InChIInChI=1S/C17H24/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h8,14-15H,4-7,9-10H2,1-3H3/t14-,15+/m1/s1
InChIKeyJBKHTLVHWADQNG-CABCVRRESA-N
MW228.38 g/mol
LogP4.52
Rot. Bonds

About (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene

(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene (PubChem CID 162292793) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene.

Molecular Properties

Compound Name(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
PubChem CID162292793
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
SMILESCc1cc2c(c(C)c1C)C[C@@H]1CCCC[C@@H]1C2
InChIInChI=1S/C17H24/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h8,14-15H,4-7,9-10H2,1-3H3/t14-,15+/m1/s1
InChIKeyJBKHTLVHWADQNG-CABCVRRESA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene 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

5-tert-butyl-1-methyl-2-(3-methyl-5,6,7,8,8a,9,10,10a-octahydroanthracen-2-yl)pyridin-1-ium
CID 177074928
5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137470478
2-methyl-2,3,4,7,7a,8,9,10,10a,11-decahydroindeno[5,6-h]chromen-5-ol
CID 162788293
5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-thioxanthene 10,10-dioxide
CID 71950265
1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 158290232
1-methyl-2-(3-methyl-5,6,7,8,8a,9,10,10a-octahydroanthracen-2-yl)-5-(2-methylpropyl)pyridin-1-ium
CID 177075114
(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene
CID 164682210
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163
5-[4-[4-chloro-3-[(2-cyclopentyl-6,7-dimethyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenoxy]phenyl]-2H-tetrazole
CID 69339796
1,2,3,4,5,7,8-heptamethyl-9H-fluorene;bis(1,2,3,4,5,6-hexamethylbenzene);1,2,4,5,7,8-hexamethyl-9H-fluorene;bis(1,2,3,4,5,6,7,8-octamethyl-9H-fluorene);bis(1,2,3,4,5-pentamethylbenzene)
CID 159697118
5-chloro-2-cyclopentyl-7-methyl-2,3-dihydro-1H-indole
CID 3950781
(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 70658369

Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The IUPAC name of (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene (CID 162292793) is (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene.
What is the SMILES notation for (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The canonical SMILES for (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene is Cc1cc2c(c(C)c1C)C[C@@H]1CCCC[C@@H]1C2.
What is the InChIKey of (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
The InChIKey is JBKHTLVHWADQNG-CABCVRRESA-N. The full InChI is InChI=1S/C17H24/c1-11-8-16-9-14-6-4-5-7-15(14)10-17(16)13(3)12(11)2/h8,14-15H,4-7,9-10H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene?
(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene has a molecular weight of 228.38 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene is sourced from PubChem (CID 162292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).