2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one

C20H35NO3 — CID 177182656

IUPAC2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one
SMILESCCCCCC=CCCC1OC(=O)CN1C(=O)CCCCCCC
InChIInChI=1S/C20H35NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h10,12,19H,3-9,11,13-17H2,1-2H3
InChIKeyKVJCSFHXNAYZNB-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.98
Rot. Bonds13

About 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one

2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one (PubChem CID 177182656) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one
PubChem CID177182656
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one
SMILESCCCCCC=CCCC1OC(=O)CN1C(=O)CCCCCCC
InChIInChI=1S/C20H35NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h10,12,19H,3-9,11,13-17H2,1-2H3
InChIKeyKVJCSFHXNAYZNB-UHFFFAOYSA-N
XLogP4.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one?
The IUPAC name of 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one (CID 177182656) is 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one?
The canonical SMILES for 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one is CCCCCC=CCCC1OC(=O)CN1C(=O)CCCCCCC.
What is the InChIKey of 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one?
The InChIKey is KVJCSFHXNAYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-3-5-7-9-10-12-14-16-19-21(17-20(23)24-19)18(22)15-13-11-8-6-4-2/h10,12,19H,3-9,11,13-17H2,1-2H3.
What are the key properties of 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one?
2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one has a molecular weight of 337.50 g/mol, XLogP of 4.98, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-3-enyl-3-octanoyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 177182656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).