2,2-dimethylpropane;ethane;1,2-oxazole

C10H21NO — CID 91551255

IUPAC2,2-dimethylpropane;ethane;1,2-oxazole
SMILESCC.CC(C)(C)C.c1cnoc1
InChIInChI=1S/C5H12.C3H3NO.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1-3H;1-2H3
InChIKeyAEQZTDRCYSNDIE-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.75
Rot. Bonds

About 2,2-dimethylpropane;ethane;1,2-oxazole

2,2-dimethylpropane;ethane;1,2-oxazole (PubChem CID 91551255) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;1,2-oxazole.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;1,2-oxazole
PubChem CID91551255
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethylpropane;ethane;1,2-oxazole
SMILESCC.CC(C)(C)C.c1cnoc1
InChIInChI=1S/C5H12.C3H3NO.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1-3H;1-2H3
InChIKeyAEQZTDRCYSNDIE-UHFFFAOYSA-N
XLogP3.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;1,2-oxazole?
The IUPAC name of 2,2-dimethylpropane;ethane;1,2-oxazole (CID 91551255) is 2,2-dimethylpropane;ethane;1,2-oxazole.
What is the SMILES notation for 2,2-dimethylpropane;ethane;1,2-oxazole?
The canonical SMILES for 2,2-dimethylpropane;ethane;1,2-oxazole is CC.CC(C)(C)C.c1cnoc1.
What is the InChIKey of 2,2-dimethylpropane;ethane;1,2-oxazole?
The InChIKey is AEQZTDRCYSNDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H3NO.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1-3H;1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;1,2-oxazole?
2,2-dimethylpropane;ethane;1,2-oxazole has a molecular weight of 171.28 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;1,2-oxazole is sourced from PubChem (CID 91551255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).