2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide

C12H27NO2 — CID 169193843

IUPAC2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide
SMILESCCCC(C)(C)C.NC(=O)C1CCOC1.[H][H]
InChIInChI=1S/C7H16.C5H9NO2.H2/c1-5-6-7(2,3)4;6-5(7)4-1-2-8-3-4;/h5-6H2,1-4H3;4H,1-3H2,(H2,6,7);1H
InChIKeyYSBNXOXAFUKMKV-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.59
Rot. Bonds2

About 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide

2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide (PubChem CID 169193843) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide
PubChem CID169193843
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide
SMILESCCCC(C)(C)C.NC(=O)C1CCOC1.[H][H]
InChIInChI=1S/C7H16.C5H9NO2.H2/c1-5-6-7(2,3)4;6-5(7)4-1-2-8-3-4;/h5-6H2,1-4H3;4H,1-3H2,(H2,6,7);1H
InChIKeyYSBNXOXAFUKMKV-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide?
The IUPAC name of 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide (CID 169193843) is 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide is CCCC(C)(C)C.NC(=O)C1CCOC1.[H][H].
What is the InChIKey of 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide?
The InChIKey is YSBNXOXAFUKMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H9NO2.H2/c1-5-6-7(2,3)4;6-5(7)4-1-2-8-3-4;/h5-6H2,1-4H3;4H,1-3H2,(H2,6,7);1H.
What are the key properties of 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide?
2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide has a molecular weight of 217.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentane;molecular hydrogen;oxolane-3-carboxamide is sourced from PubChem (CID 169193843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).