(4R,5R)-4-hydroxy-5-nonyloxolan-2-one

C13H24O3 — CID 134143659

IUPAC(4R,5R)-4-hydroxy-5-nonyloxolan-2-one
SMILESCCCCCCCCC[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-12-11(14)10-13(15)16-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeySGXZHQLDCQIVMV-VXGBXAGGSA-N
MW228.33 g/mol
LogP2.80
Rot. Bonds8

About (4R,5R)-4-hydroxy-5-nonyloxolan-2-one

(4R,5R)-4-hydroxy-5-nonyloxolan-2-one (PubChem CID 134143659) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-5-nonyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-5-nonyloxolan-2-one
PubChem CID134143659
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(4R,5R)-4-hydroxy-5-nonyloxolan-2-one
SMILESCCCCCCCCC[C@H]1OC(=O)C[C@H]1O
InChIInChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-12-11(14)10-13(15)16-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeySGXZHQLDCQIVMV-VXGBXAGGSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.80
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 (4R,5R)-4-hydroxy-5-nonyloxolan-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-5-nonyloxolan-2-one (CID 134143659) is (4R,5R)-4-hydroxy-5-nonyloxolan-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-5-nonyloxolan-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-5-nonyloxolan-2-one is CCCCCCCCC[C@H]1OC(=O)C[C@H]1O.
What is the InChIKey of (4R,5R)-4-hydroxy-5-nonyloxolan-2-one?
The InChIKey is SGXZHQLDCQIVMV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-12-11(14)10-13(15)16-12/h11-12,14H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-5-nonyloxolan-2-one?
(4R,5R)-4-hydroxy-5-nonyloxolan-2-one has a molecular weight of 228.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-5-nonyloxolan-2-one is sourced from PubChem (CID 134143659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).