ethyl (3R)-3-hydroxyoctanoate

C10H20O3 — CID 10932198

IUPACethyl (3R)-3-hydroxyoctanoate
SMILESCCCCC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVGWUJHSTGYCXQQ-SECBINFHSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds7

About ethyl (3R)-3-hydroxyoctanoate

ethyl (3R)-3-hydroxyoctanoate (PubChem CID 10932198) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxyoctanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxyoctanoate
PubChem CID10932198
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl (3R)-3-hydroxyoctanoate
SMILESCCCCC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVGWUJHSTGYCXQQ-SECBINFHSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
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 ethyl (3R)-3-hydroxyoctanoate?
The IUPAC name of ethyl (3R)-3-hydroxyoctanoate (CID 10932198) is ethyl (3R)-3-hydroxyoctanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxyoctanoate?
The canonical SMILES for ethyl (3R)-3-hydroxyoctanoate is CCCCC[C@@H](O)CC(=O)OCC.
What is the InChIKey of ethyl (3R)-3-hydroxyoctanoate?
The InChIKey is VGWUJHSTGYCXQQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxyoctanoate?
ethyl (3R)-3-hydroxyoctanoate has a molecular weight of 188.27 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxyoctanoate is sourced from PubChem (CID 10932198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).