2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan

C18H30O — CID 59012672

IUPAC2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan
SMILESCC1=C(C2=C(C)C(C)(C)OC2(C)C)C(C)(C)C(C)C1
InChIInChI=1S/C18H30O/c1-11-10-12(2)16(4,5)14(11)15-13(3)17(6,7)19-18(15,8)9/h12H,10H2,1-9H3
InChIKeyXIHXGQKVGUQKDS-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.27
Rot. Bonds1

About 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan

2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan (PubChem CID 59012672) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan
PubChem CID59012672
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan
SMILESCC1=C(C2=C(C)C(C)(C)OC2(C)C)C(C)(C)C(C)C1
InChIInChI=1S/C18H30O/c1-11-10-12(2)16(4,5)14(11)15-13(3)17(6,7)19-18(15,8)9/h12H,10H2,1-9H3
InChIKeyXIHXGQKVGUQKDS-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan?
The IUPAC name of 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan (CID 59012672) is 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan?
The canonical SMILES for 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan is CC1=C(C2=C(C)C(C)(C)OC2(C)C)C(C)(C)C(C)C1.
What is the InChIKey of 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan?
The InChIKey is XIHXGQKVGUQKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-11-10-12(2)16(4,5)14(11)15-13(3)17(6,7)19-18(15,8)9/h12H,10H2,1-9H3.
What are the key properties of 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan?
2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan has a molecular weight of 262.44 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan is sourced from PubChem (CID 59012672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).