3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one

C9H17NO2 — CID 58668534

IUPAC3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one
SMILESCC(C)(C)CCN1COCC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)4-5-10-7-12-6-8(10)11/h4-7H2,1-3H3
InChIKeyBLZYWBHCVFHXIR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one

3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one (PubChem CID 58668534) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one
PubChem CID58668534
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one
SMILESCC(C)(C)CCN1COCC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)4-5-10-7-12-6-8(10)11/h4-7H2,1-3H3
InChIKeyBLZYWBHCVFHXIR-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one (CID 58668534) is 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one is CC(C)(C)CCN1COCC1=O.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one?
The InChIKey is BLZYWBHCVFHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)4-5-10-7-12-6-8(10)11/h4-7H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one?
3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 58668534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).