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

C32H52 — CID 162278755

IUPAC9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane
SMILESCC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(CC3C(C)CCC3C)C2C(C)=C1C
InChIInChI=1S/C27H40.C5H12/c1-14-9-10-15(2)22(14)13-25-26-20(7)18(5)16(3)11-23(26)24-12-17(4)19(6)21(8)27(24)25;1-5(2,3)4/h11-12,14-15,22-27H,9-10,13H2,1-8H3;1-4H3
InChIKeyAWHFCJZLMUYNFX-UHFFFAOYSA-N
MW436.77 g/mol
LogP9.80
Rot. Bonds2

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

9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane (PubChem CID 162278755) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane.

Molecular Properties

Compound Name9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane
PubChem CID162278755
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Name9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane
SMILESCC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(CC3C(C)CCC3C)C2C(C)=C1C
InChIInChI=1S/C27H40.C5H12/c1-14-9-10-15(2)22(14)13-25-26-20(7)18(5)16(3)11-23(26)24-12-17(4)19(6)21(8)27(24)25;1-5(2,3)4/h11-12,14-15,22-27H,9-10,13H2,1-8H3;1-4H3
InChIKeyAWHFCJZLMUYNFX-UHFFFAOYSA-N
XLogP9.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane?
The IUPAC name of 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane (CID 162278755) is 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane.
What is the SMILES notation for 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane?
The canonical SMILES for 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane is CC(C)(C)C.CC1=CC2C3C=C(C)C(C)=C(C)C3C(CC3C(C)CCC3C)C2C(C)=C1C.
What is the InChIKey of 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane?
The InChIKey is AWHFCJZLMUYNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40.C5H12/c1-14-9-10-15(2)22(14)13-25-26-20(7)18(5)16(3)11-23(26)24-12-17(4)19(6)21(8)27(24)25;1-5(2,3)4/h11-12,14-15,22-27H,9-10,13H2,1-8H3;1-4H3.
What are the key properties of 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane?
9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane has a molecular weight of 436.77 g/mol, XLogP of 9.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-dimethylcyclopentyl)methyl]-1,2,3,6,7,8-hexamethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,2-dimethylpropane is sourced from PubChem (CID 162278755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).