2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one

C16H26O5 — CID 132570971

IUPAC2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one
SMILESCCC(C)CC(=O)CCCC[C@@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C16H26O5/c1-4-10(2)9-12(17)7-5-6-8-13(18)14-11(3)15(19)21-16(14)20/h10,13,15,18-19H,4-9H2,1-3H3/t10?,13-,15?/m1/s1
InChIKeyDVWRMCXUGNGXJU-VROQLPPWSA-N
MW298.38 g/mol
LogP2.10
Rot. Bonds9

About 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one

2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one (PubChem CID 132570971) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one
PubChem CID132570971
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one
SMILESCCC(C)CC(=O)CCCC[C@@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C16H26O5/c1-4-10(2)9-12(17)7-5-6-8-13(18)14-11(3)15(19)21-16(14)20/h10,13,15,18-19H,4-9H2,1-3H3/t10?,13-,15?/m1/s1
InChIKeyDVWRMCXUGNGXJU-VROQLPPWSA-N
XLogP2.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one (CID 132570971) is 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one is CCC(C)CC(=O)CCCC[C@@H](O)C1=C(C)C(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one?
The InChIKey is DVWRMCXUGNGXJU-VROQLPPWSA-N. The full InChI is InChI=1S/C16H26O5/c1-4-10(2)9-12(17)7-5-6-8-13(18)14-11(3)15(19)21-16(14)20/h10,13,15,18-19H,4-9H2,1-3H3/t10?,13-,15?/m1/s1.
What are the key properties of 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one?
2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one has a molecular weight of 298.38 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxodecyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 132570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).