2-(3-methylbutyl)-1,2-oxazolidine

C8H17NO — CID 126991187

IUPAC2-(3-methylbutyl)-1,2-oxazolidine
SMILESCC(C)CCN1CCCO1
InChIInChI=1S/C8H17NO/c1-8(2)4-6-9-5-3-7-10-9/h8H,3-7H2,1-2H3
InChIKeyHTXJSOCIMVVSJI-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.67
Rot. Bonds3

About 2-(3-methylbutyl)-1,2-oxazolidine

2-(3-methylbutyl)-1,2-oxazolidine (PubChem CID 126991187) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,2-oxazolidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,2-oxazolidine
PubChem CID126991187
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3-methylbutyl)-1,2-oxazolidine
SMILESCC(C)CCN1CCCO1
InChIInChI=1S/C8H17NO/c1-8(2)4-6-9-5-3-7-10-9/h8H,3-7H2,1-2H3
InChIKeyHTXJSOCIMVVSJI-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,2-oxazolidine?
The IUPAC name of 2-(3-methylbutyl)-1,2-oxazolidine (CID 126991187) is 2-(3-methylbutyl)-1,2-oxazolidine.
What is the SMILES notation for 2-(3-methylbutyl)-1,2-oxazolidine?
The canonical SMILES for 2-(3-methylbutyl)-1,2-oxazolidine is CC(C)CCN1CCCO1.
What is the InChIKey of 2-(3-methylbutyl)-1,2-oxazolidine?
The InChIKey is HTXJSOCIMVVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-6-9-5-3-7-10-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-1,2-oxazolidine?
2-(3-methylbutyl)-1,2-oxazolidine has a molecular weight of 143.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,2-oxazolidine is sourced from PubChem (CID 126991187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).