(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one

C10H18O4 — CID 122368814

IUPAC(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one
SMILESCCCCC[C@H](O)[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3/t7-,8+,10-/m0/s1
InChIKeyRNEPLBQKCJIWGX-XKSSXDPKSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds5

About (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one

(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one (PubChem CID 122368814) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one
PubChem CID122368814
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one
SMILESCCCCC[C@H](O)[C@@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3/t7-,8+,10-/m0/s1
InChIKeyRNEPLBQKCJIWGX-XKSSXDPKSA-N
XLogP0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one (CID 122368814) is (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one is CCCCC[C@H](O)[C@@H]1OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one?
The InChIKey is RNEPLBQKCJIWGX-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-7(11)10-8(12)6-9(13)14-10/h7-8,10-12H,2-6H2,1H3/t7-,8+,10-/m0/s1.
What are the key properties of (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one?
(4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-hydroxy-5-[(1S)-1-hydroxyhexyl]oxolan-2-one is sourced from PubChem (CID 122368814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).