2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C36H68 — CID 90821165

IUPAC2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C)C.CC1C(C)C(C)C(CC2C3C(C)C(C)C(C)C(C)C3C3C(C)C(C)C(C)C(C)C23)C1C
InChIInChI=1S/C31H56.C5H12/c1-14-15(2)21(8)26(20(14)7)13-27-28-22(9)16(3)18(5)24(11)30(28)31-25(12)19(6)17(4)23(10)29(27)31;1-5(2,3)4/h14-31H,13H2,1-12H3;1-4H3
InChIKeyUYSFANTWRYPLJN-UHFFFAOYSA-N
MW500.94 g/mol
LogP10.81
Rot. Bonds2

About 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 90821165) has the molecular formula C36H68 and a molecular weight of 500.94 g/mol. Its IUPAC name is 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID90821165
Molecular FormulaC36H68
Molecular Weight500.94 g/mol
Exact Mass500.53
IUPAC Name2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C)C.CC1C(C)C(C)C(CC2C3C(C)C(C)C(C)C(C)C3C3C(C)C(C)C(C)C(C)C23)C1C
InChIInChI=1S/C31H56.C5H12/c1-14-15(2)21(8)26(20(14)7)13-27-28-22(9)16(3)18(5)24(11)30(28)31-25(12)19(6)17(4)23(10)29(27)31;1-5(2,3)4/h14-31H,13H2,1-12H3;1-4H3
InChIKeyUYSFANTWRYPLJN-UHFFFAOYSA-N
XLogP10.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.94
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

propane;bis(1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane)
CID 162289417
bis(1,2,3,4,5-pentamethylcyclopentane);bis(prop-1-ene);1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylcyclopentyl)methyl]cyclopentane
CID 162298772
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 90971590
1-isocyanato-4-[(4-isocyanato-2,3,5,6-tetramethylcyclohexyl)methyl]-2,3,5,6-tetramethylcyclohexane
CID 18551870
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
1-[3-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-2,3-dimethylbutan-2-yl]-2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 100992125

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 90821165) is 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is CC(C)(C)C.CC1C(C)C(C)C(CC2C3C(C)C(C)C(C)C(C)C3C3C(C)C(C)C(C)C(C)C23)C1C.
What is the InChIKey of 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is UYSFANTWRYPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56.C5H12/c1-14-15(2)21(8)26(20(14)7)13-27-28-22(9)16(3)18(5)24(11)30(28)31-25(12)19(6)17(4)23(10)29(27)31;1-5(2,3)4/h14-31H,13H2,1-12H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 500.94 g/mol, XLogP of 10.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1,2,3,4,5,6,7,8-octamethyl-9-[(2,3,4,5-tetramethylcyclopentyl)methyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 90821165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).