4-(1-adamantyl)-2-methyl-2H-furan-5-one

C15H20O2 — CID 506552

IUPAC4-(1-adamantyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(C23CC4CC(CC(C4)C2)C3)C(=O)O1
InChIInChI=1S/C15H20O2/c1-9-2-13(14(16)17-9)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,9-12H,3-8H2,1H3
InChIKeyHYNNWTQLRXUPHK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.07
Rot. Bonds1

About 4-(1-adamantyl)-2-methyl-2H-furan-5-one

4-(1-adamantyl)-2-methyl-2H-furan-5-one (PubChem CID 506552) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(1-adamantyl)-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(1-adamantyl)-2-methyl-2H-furan-5-one
PubChem CID506552
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(1-adamantyl)-2-methyl-2H-furan-5-one
SMILESCC1C=C(C23CC4CC(CC(C4)C2)C3)C(=O)O1
InChIInChI=1S/C15H20O2/c1-9-2-13(14(16)17-9)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,9-12H,3-8H2,1H3
InChIKeyHYNNWTQLRXUPHK-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-2-methyl-2H-furan-5-one?
The IUPAC name of 4-(1-adamantyl)-2-methyl-2H-furan-5-one (CID 506552) is 4-(1-adamantyl)-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-(1-adamantyl)-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-(1-adamantyl)-2-methyl-2H-furan-5-one is CC1C=C(C23CC4CC(CC(C4)C2)C3)C(=O)O1.
What is the InChIKey of 4-(1-adamantyl)-2-methyl-2H-furan-5-one?
The InChIKey is HYNNWTQLRXUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-2-13(14(16)17-9)15-6-10-3-11(7-15)5-12(4-10)8-15/h2,9-12H,3-8H2,1H3.
What are the key properties of 4-(1-adamantyl)-2-methyl-2H-furan-5-one?
4-(1-adamantyl)-2-methyl-2H-furan-5-one has a molecular weight of 232.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-2-methyl-2H-furan-5-one is sourced from PubChem (CID 506552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).