(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one

C10H16O3 — CID 163068992

IUPAC(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one
SMILESCCCCC[C@@]1(O)C=C(C)C(=O)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-6-10(12)7-8(2)9(11)13-10/h7,12H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyULGZZSDAVBPQEL-JTQLQIEISA-N
MW184.23 g/mol
LogP1.76
Rot. Bonds4

About (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one

(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one (PubChem CID 163068992) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one
PubChem CID163068992
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one
SMILESCCCCC[C@@]1(O)C=C(C)C(=O)O1
InChIInChI=1S/C10H16O3/c1-3-4-5-6-10(12)7-8(2)9(11)13-10/h7,12H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyULGZZSDAVBPQEL-JTQLQIEISA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one?
The IUPAC name of (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one (CID 163068992) is (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one.
What is the SMILES notation for (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one?
The canonical SMILES for (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one is CCCCC[C@@]1(O)C=C(C)C(=O)O1.
What is the InChIKey of (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one?
The InChIKey is ULGZZSDAVBPQEL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-5-6-10(12)7-8(2)9(11)13-10/h7,12H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one?
(5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-3-methyl-5-pentylfuran-2-one is sourced from PubChem (CID 163068992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).