2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen

C10H23NO2 — CID 168925831

IUPAC2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen
SMILESCC.CC1(C)CC(C(N)=O)CCO1.[H][H]
InChIInChI=1S/C8H15NO2.C2H6.H2/c1-8(2)5-6(7(9)10)3-4-11-8;1-2;/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3;1H
InChIKeyCHBMITSDISPUFU-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.95
Rot. Bonds1

About 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen

2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen (PubChem CID 168925831) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen
PubChem CID168925831
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen
SMILESCC.CC1(C)CC(C(N)=O)CCO1.[H][H]
InChIInChI=1S/C8H15NO2.C2H6.H2/c1-8(2)5-6(7(9)10)3-4-11-8;1-2;/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3;1H
InChIKeyCHBMITSDISPUFU-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen (CID 168925831) is 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen is CC.CC1(C)CC(C(N)=O)CCO1.[H][H].
What is the InChIKey of 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen?
The InChIKey is CHBMITSDISPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6.H2/c1-8(2)5-6(7(9)10)3-4-11-8;1-2;/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3;1H.
What are the key properties of 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen?
2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen has a molecular weight of 189.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxane-4-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 168925831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).