9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane

C26H48 — CID 91052445

IUPAC9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane
SMILESCC1CC(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1.CCC
InChIInChI=1S/C23H40.C3H8/c1-15-13-16(2)21(14-15)23(3,4)22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22;1-3-2/h15-22H,5-14H2,1-4H3;3H2,1-2H3
InChIKeyWLCHMXXLFACECB-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.35
Rot. Bonds2

About 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane

9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane (PubChem CID 91052445) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane.

Molecular Properties

Compound Name9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane
PubChem CID91052445
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane
SMILESCC1CC(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1.CCC
InChIInChI=1S/C23H40.C3H8/c1-15-13-16(2)21(14-15)23(3,4)22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22;1-3-2/h15-22H,5-14H2,1-4H3;3H2,1-2H3
InChIKeyWLCHMXXLFACECB-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

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
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
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
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
7-methylbicyclo[4.1.0]heptane;propane
CID 143683188
2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
CID 70031928
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
10,12-dimethyl-1,2,3,4,4a,4b,5,5a,5b,6,7,8,9,9a,10,10a,11,11a,12,12a-icosahydroindeno[2,1-b]fluorene;ethane;methane;propane
CID 162269085
2-tert-butyl-1,3,5-trimethylcyclohexane
CID 59523055
tetrakis(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);bis(cyclopentane);hexakis(2,2-dichloropropane);bis(ethylcyclopentane);bis(2-methyl-2,3,3a,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-hexadecahydro-1H-cyclopenta[l]phenanthrene);methylcyclopentane;1,2,3,4,5-pentamethylcyclopentane
CID 162280445
tris(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);bis(cyclopentane);pentakis(2,2-dichloropropane);ethylcyclopentane;bis(2-methyl-2,3,3a,3b,4,5,6,7,7a,7b,8,9,10,11,11a,11b-hexadecahydro-1H-cyclopenta[l]phenanthrene);methylcyclopentane;1,2,3,4,5-pentamethylcyclopentane
CID 162280459
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane?
The IUPAC name of 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) is 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane.
What is the SMILES notation for 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane?
The canonical SMILES for 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane is CC1CC(C)C(C(C)(C)C2C3CCCCC3C3CCCCC32)C1.CCC.
What is the InChIKey of 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane?
The InChIKey is WLCHMXXLFACECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.C3H8/c1-15-13-16(2)21(14-15)23(3,4)22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22;1-3-2/h15-22H,5-14H2,1-4H3;3H2,1-2H3.
What are the key properties of 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane?
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane has a molecular weight of 360.67 g/mol, XLogP of 8.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene;propane is sourced from PubChem (CID 91052445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).