(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one

C13H23NO2 — CID 11746308

IUPAC(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-10-12-11(2)14-13(15)16-12/h3,11-12H,1,4-10H2,2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGPFICVIXBDKBQQ-NWDGAFQWSA-N
MW225.33 g/mol
LogP3.40
Rot. Bonds8

About (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one (PubChem CID 11746308) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one
PubChem CID11746308
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-10-12-11(2)14-13(15)16-12/h3,11-12H,1,4-10H2,2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGPFICVIXBDKBQQ-NWDGAFQWSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one (CID 11746308) is (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one is C=CCCCCCCC[C@H]1OC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one?
The InChIKey is GPFICVIXBDKBQQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-6-7-8-9-10-12-11(2)14-13(15)16-12/h3,11-12H,1,4-10H2,2H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-non-8-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11746308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).