9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C32H52 — CID 90752282

IUPAC9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C1CCC(C2(C)C3CC4CC(C3)CC2C4)C1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C32H52/c1-31(2,30-28-10-6-4-8-26(28)27-9-5-7-11-29(27)30)22-12-13-23(19-22)32(3)24-15-20-14-21(17-24)18-25(32)16-20/h20-30H,4-19H2,1-3H3
InChIKeyOLJVFIQQBAVOQR-UHFFFAOYSA-N
MW436.77 g/mol
LogP9.13
Rot. Bonds3

About 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 90752282) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID90752282
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Name9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C1CCC(C2(C)C3CC4CC(C3)CC2C4)C1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C32H52/c1-31(2,30-28-10-6-4-8-26(28)27-9-5-7-11-29(27)30)22-12-13-23(19-22)32(3)24-15-20-14-21(17-24)18-25(32)16-20/h20-30H,4-19H2,1-3H3
InChIKeyOLJVFIQQBAVOQR-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

(4aR,4bS)-9-[2-[(3R)-3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59916256
3-tert-butyl-9-[2-(3-methylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91406207
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91052446
2,2-dimethylpropane;ethane;9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91032407
2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
CID 70031928
2-(3,4-dimethylcyclopentyl)-2-methyladamantane;1-(3,4-dimethylcyclopentyl)-1-methylcyclohexane;1,2-dimethyl-4-(2-methylpentan-2-yl)cyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;2-methyl-2-(3-methylcyclopentyl)adamantane;1-methyl-1-(3-methylcyclopentyl)cyclohexane;1-methyl-3-(2-methylpentan-2-yl)cyclopentane
CID 162289952
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane
CID 91052445
1-tert-butyladamantane;tert-butylcyclopentane;2,2-dimethyladamantane;1,1-dimethylcyclopentane
CID 158115985
2,2-dimethyladamantane;ethane
CID 91483373
6-tert-butylbicyclo[3.1.0]hexane;tert-butylcyclohexane
CID 163468164
1-(2-cyclopentylpropan-2-yl)-3-methylcyclopentane
CID 163483519
3-cyclopentyl-3-methyl-7-(2,3,3-trimethylbutan-2-yl)bicyclo[4.1.0]heptane
CID 163885424

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 90752282) is 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is CC(C)(C1CCC(C2(C)C3CC4CC(C3)CC2C4)C1)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is OLJVFIQQBAVOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52/c1-31(2,30-28-10-6-4-8-26(28)27-9-5-7-11-29(27)30)22-12-13-23(19-22)32(3)24-15-20-14-21(17-24)18-25(32)16-20/h20-30H,4-19H2,1-3H3.
What are the key properties of 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 436.77 g/mol, XLogP of 9.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(2-methyl-2-adamantyl)cyclopentyl]propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 90752282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).