propan-2-yl (3R)-3-hydroxynonanoate

C12H24O3 — CID 102053474

IUPACpropan-2-yl (3R)-3-hydroxynonanoate
SMILESCCCCCC[C@@H](O)CC(=O)OC(C)C
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-11(13)9-12(14)15-10(2)3/h10-11,13H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyJRCSLGPCUUBRRL-LLVKDONJSA-N
MW216.32 g/mol
LogP2.66
Rot. Bonds8

About propan-2-yl (3R)-3-hydroxynonanoate

propan-2-yl (3R)-3-hydroxynonanoate (PubChem CID 102053474) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is propan-2-yl (3R)-3-hydroxynonanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-hydroxynonanoate
PubChem CID102053474
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namepropan-2-yl (3R)-3-hydroxynonanoate
SMILESCCCCCC[C@@H](O)CC(=O)OC(C)C
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-11(13)9-12(14)15-10(2)3/h10-11,13H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyJRCSLGPCUUBRRL-LLVKDONJSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.66
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 propan-2-yl (3R)-3-hydroxynonanoate?
The IUPAC name of propan-2-yl (3R)-3-hydroxynonanoate (CID 102053474) is propan-2-yl (3R)-3-hydroxynonanoate.
What is the SMILES notation for propan-2-yl (3R)-3-hydroxynonanoate?
The canonical SMILES for propan-2-yl (3R)-3-hydroxynonanoate is CCCCCC[C@@H](O)CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (3R)-3-hydroxynonanoate?
The InChIKey is JRCSLGPCUUBRRL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-11(13)9-12(14)15-10(2)3/h10-11,13H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-hydroxynonanoate?
propan-2-yl (3R)-3-hydroxynonanoate has a molecular weight of 216.32 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-hydroxynonanoate is sourced from PubChem (CID 102053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).