ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine

C10H23NO2 — CID 18925927

IUPACethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine
SMILESCC.CCCC(C)C1OCCN1O
InChIInChI=1S/C8H17NO2.C2H6/c1-3-4-7(2)8-9(10)5-6-11-8;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3
InChIKeyKZDRCSSEWHERFX-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.50
Rot. Bonds3

About ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine

ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine (PubChem CID 18925927) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine
PubChem CID18925927
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine
SMILESCC.CCCC(C)C1OCCN1O
InChIInChI=1S/C8H17NO2.C2H6/c1-3-4-7(2)8-9(10)5-6-11-8;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3
InChIKeyKZDRCSSEWHERFX-UHFFFAOYSA-N
XLogP2.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine?
The IUPAC name of ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine (CID 18925927) is ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine.
What is the SMILES notation for ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine?
The canonical SMILES for ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine is CC.CCCC(C)C1OCCN1O.
What is the InChIKey of ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine?
The InChIKey is KZDRCSSEWHERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-3-4-7(2)8-9(10)5-6-11-8;1-2/h7-8,10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine?
ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine has a molecular weight of 189.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-2-pentan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 18925927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).