2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C36H60 — CID 162278753

IUPAC2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(C(C)(C)C3C(C)C(C)C(C)C3C)C2C(C)=C1C
InChIInChI=1S/C31H48.C5H12/c1-15-13-25-26-14-16(2)18(4)22(8)28(26)30(27(25)21(7)17(15)3)31(11,12)29-23(9)19(5)20(6)24(29)10;1-5(2,3)4/h13-14,19-20,23-30H,1-12H3;1-4H3
InChIKeyFHKRRBFXGHLSCM-UHFFFAOYSA-N
MW492.88 g/mol
LogP10.93
Rot. Bonds2

About 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 162278753) has the molecular formula C36H60 and a molecular weight of 492.88 g/mol. Its IUPAC name is 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID162278753
Molecular FormulaC36H60
Molecular Weight492.88 g/mol
Exact Mass492.47
IUPAC Name2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(C(C)(C)C3C(C)C(C)C(C)C3C)C2C(C)=C1C
InChIInChI=1S/C31H48.C5H12/c1-15-13-25-26-14-16(2)18(4)22(8)28(26)30(27(25)21(7)17(15)3)31(11,12)29-23(9)19(5)20(6)24(29)10;1-5(2,3)4/h13-14,19-20,23-30H,1-12H3;1-4H3
InChIKeyFHKRRBFXGHLSCM-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 162278753) is 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(C(C)(C)C3C(C)C(C)C(C)C3C)C2C(C)=C1C.
What is the InChIKey of 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is FHKRRBFXGHLSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48.C5H12/c1-15-13-25-26-14-16(2)18(4)22(8)28(26)30(27(25)21(7)17(15)3)31(11,12)29-23(9)19(5)20(6)24(29)10;1-5(2,3)4/h13-14,19-20,23-30H,1-12H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 492.88 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 162278753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).