3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one

C15H29NO2 — CID 58234740

IUPAC3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1CCCCCCC(C)C
InChIInChI=1S/C15H29NO2/c1-4-9-14-12-18-15(17)16(14)11-8-6-5-7-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyMMLONIUZAXTVJU-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.21
Rot. Bonds9

About 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one

3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one (PubChem CID 58234740) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
PubChem CID58234740
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1CCCCCCC(C)C
InChIInChI=1S/C15H29NO2/c1-4-9-14-12-18-15(17)16(14)11-8-6-5-7-10-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyMMLONIUZAXTVJU-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
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 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one (CID 58234740) is 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one is CCCC1COC(=O)N1CCCCCCC(C)C.
What is the InChIKey of 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is MMLONIUZAXTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-9-14-12-18-15(17)16(14)11-8-6-5-7-10-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one?
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58234740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).