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

C34H68 — CID 91032407

IUPAC2,2-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
SMILESCC.CC.CC(C)(C)C.CC1C(C)C(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1C
InChIInChI=1S/C25H44.C5H12.2C2H6/c1-15-16(2)18(4)23(17(15)3)25(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24;1-5(2,3)4;2*1-2/h15-24H,7-14H2,1-6H3;1-4H3;2*1-2H3
InChIKeyABYCJWNKTTUASK-UHFFFAOYSA-N
MW476.92 g/mol
LogP11.53
Rot. Bonds2

About 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

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 (PubChem CID 91032407) has the molecular formula C34H68 and a molecular weight of 476.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID91032407
Molecular FormulaC34H68
Molecular Weight476.92 g/mol
Exact Mass476.53
IUPAC Name2,2-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
SMILESCC.CC.CC(C)(C)C.CC1C(C)C(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1C
InChIInChI=1S/C25H44.C5H12.2C2H6/c1-15-16(2)18(4)23(17(15)3)25(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24;1-5(2,3)4;2*1-2/h15-24H,7-14H2,1-6H3;1-4H3;2*1-2H3
InChIKeyABYCJWNKTTUASK-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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

(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
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-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
CID 70031928
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
2,2-dimethylpropane;2-methyl-1-[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 54237955
7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
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
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
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
1,1,1-trifluoro-2-(10-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)propan-2-ol
CID 118231680
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC(C)(C)C.CC1C(C)C(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1C.
What is the InChIKey of 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?
The InChIKey is ABYCJWNKTTUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44.C5H12.2C2H6/c1-15-16(2)18(4)23(17(15)3)25(5,6)24-21-13-9-7-11-19(21)20-12-8-10-14-22(20)24;1-5(2,3)4;2*1-2/h15-24H,7-14H2,1-6H3;1-4H3;2*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 476.92 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91032407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).