(4R)-4-hexyl-1,3-oxazolidin-2-one

C9H17NO2 — CID 10986721

IUPAC(4R)-4-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H]1COC(=O)N1
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-12-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyLIWFFLZDHLBKJB-MRVPVSSYSA-N
MW171.24 g/mol
LogP2.07
Rot. Bonds5

About (4R)-4-hexyl-1,3-oxazolidin-2-one

(4R)-4-hexyl-1,3-oxazolidin-2-one (PubChem CID 10986721) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R)-4-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-hexyl-1,3-oxazolidin-2-one
PubChem CID10986721
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R)-4-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@@H]1COC(=O)N1
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-12-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1
InChIKeyLIWFFLZDHLBKJB-MRVPVSSYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-hexyl-1,3-oxazolidin-2-one (CID 10986721) is (4R)-4-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-hexyl-1,3-oxazolidin-2-one is CCCCCC[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-hexyl-1,3-oxazolidin-2-one?
The InChIKey is LIWFFLZDHLBKJB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-6-8-7-12-9(11)10-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1.
What are the key properties of (4R)-4-hexyl-1,3-oxazolidin-2-one?
(4R)-4-hexyl-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10986721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).