9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C26H38 — CID 59916270

IUPAC9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC[C@@H]1CC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C[C@@H]1C(C)(C)C
InChIInChI=1S/C26H38/c1-17-15-18(16-23(17)25(2,3)4)26(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24/h7-14,17-24H,15-16H2,1-6H3/t17-,18?,19?,20?,21?,22?,23+,24?/m1/s1
InChIKeyZISWZPROWNZIBP-CBWHRKMJSA-N
MW350.59 g/mol
LogP7.07
Rot. Bonds2

About 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59916270) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59916270
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC[C@@H]1CC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C[C@@H]1C(C)(C)C
InChIInChI=1S/C26H38/c1-17-15-18(16-23(17)25(2,3)4)26(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24/h7-14,17-24H,15-16H2,1-6H3/t17-,18?,19?,20?,21?,22?,23+,24?/m1/s1
InChIKeyZISWZPROWNZIBP-CBWHRKMJSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene 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

(4aR,4bS)-9-[2-[(3R)-3-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59082182
9-tert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783490
9-[2-[(3R)-3-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59916272
(4aR,4bS)-9-[2-[(3R)-3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59916256
12-[2-(4-tert-butyl-2-methylcyclopentyl)propan-2-yl]-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene
CID 140700532
trans-(2S,6S)-4-[2-[(3R,5S)-4-amino-3,5-dimethylcyclohexyl]propan-2-yl]-2,6-dimethylcyclohexan-1-amine
CID 124927273
carbanide;9-(2-cyclopentylpropan-2-yl)-2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluorene;dichlorozirconium(2+);ethane
CID 162282790
9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
CID 177164103
4-tert-butyl-1-fluoro-2-methylcyclopentane
CID 170179064
1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
CID 144658339
4-[2-[3,4-bis(trifluoromethyl)cyclopentyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1-methyl-2-(trifluoromethyl)cyclopentane
CID 89153555

Frequently Asked Questions

What is the IUPAC name of 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59916270) is 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C[C@@H]1CC(C(C)(C)C2C3C=CC=CC3C3C=CC=CC32)C[C@@H]1C(C)(C)C.
What is the InChIKey of 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is ZISWZPROWNZIBP-CBWHRKMJSA-N. The full InChI is InChI=1S/C26H38/c1-17-15-18(16-23(17)25(2,3)4)26(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24/h7-14,17-24H,15-16H2,1-6H3/t17-,18?,19?,20?,21?,22?,23+,24?/m1/s1.
What are the key properties of 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 350.59 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[(3S,4R)-3-tert-butyl-4-methylcyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59916270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).