3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one

C24H32O3 — CID 15370327

IUPAC3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one
SMILESO=C1OC(O)(C23CC4CC(CC(C4)C2)C3)C=C1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32O3/c25-21-20(22-7-14-1-15(8-22)3-16(2-14)9-22)13-24(26,27-21)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19,26H,1-12H2
InChIKeyMDSCQIOWJXQFIR-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.59
Rot. Bonds2

About 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one

3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one (PubChem CID 15370327) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one.

Molecular Properties

Compound Name3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one
PubChem CID15370327
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one
SMILESO=C1OC(O)(C23CC4CC(CC(C4)C2)C3)C=C1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32O3/c25-21-20(22-7-14-1-15(8-22)3-16(2-14)9-22)13-24(26,27-21)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19,26H,1-12H2
InChIKeyMDSCQIOWJXQFIR-UHFFFAOYSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-adamantyl)-2-benzofuran-1,3-dione
CID 141365559
2,6-bis(1-adamantyl)phenol
CID 14169592
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
2,6-bis(1-adamantyl)benzoic acid
CID 122626178
4-(1-adamantyl)-3-nitro-1,2-oxazole
CID 91738520
1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane
CID 23107142
2,4,5-tris(1-adamantyl)benzene-1,3-diol
CID 87124845
adamantan-1-ol;azane
CID 66728775
4-(1-adamantyl)benzene-1,2,3-triol
CID 59591581
2-(1-adamantyl)-6-aminophenol
CID 141137545
2,6-bis(1-adamantyl)-4-propan-2-ylphenol
CID 87124603
4-(1-adamantyl)-3-chlorophenol
CID 141391577

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one?
The IUPAC name of 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one (CID 15370327) is 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one.
What is the SMILES notation for 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one?
The canonical SMILES for 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one is O=C1OC(O)(C23CC4CC(CC(C4)C2)C3)C=C1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one?
The InChIKey is MDSCQIOWJXQFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c25-21-20(22-7-14-1-15(8-22)3-16(2-14)9-22)13-24(26,27-21)23-10-17-4-18(11-23)6-19(5-17)12-23/h13-19,26H,1-12H2.
What are the key properties of 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one?
3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one has a molecular weight of 368.52 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-adamantyl)-5-hydroxyfuran-2-one is sourced from PubChem (CID 15370327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).