1-methoxy-2,2-dimethylpropane;molecular hydrogen

C6H16O — CID 167547709

IUPAC1-methoxy-2,2-dimethylpropane;molecular hydrogen
SMILESCOCC(C)(C)C.[H][H]
InChIInChI=1S/C6H14O.H2/c1-6(2,3)5-7-4;/h5H2,1-4H3;1H
InChIKeyBZTQHHHKWHNMTG-UHFFFAOYSA-N
MW104.19 g/mol
LogP1.92
Rot. Bonds1

About 1-methoxy-2,2-dimethylpropane;molecular hydrogen

1-methoxy-2,2-dimethylpropane;molecular hydrogen (PubChem CID 167547709) has the molecular formula C6H16O and a molecular weight of 104.19 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylpropane;molecular hydrogen.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylpropane;molecular hydrogen
PubChem CID167547709
Molecular FormulaC6H16O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Name1-methoxy-2,2-dimethylpropane;molecular hydrogen
SMILESCOCC(C)(C)C.[H][H]
InChIInChI=1S/C6H14O.H2/c1-6(2,3)5-7-4;/h5H2,1-4H3;1H
InChIKeyBZTQHHHKWHNMTG-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylpropane;molecular hydrogen?
The IUPAC name of 1-methoxy-2,2-dimethylpropane;molecular hydrogen (CID 167547709) is 1-methoxy-2,2-dimethylpropane;molecular hydrogen.
What is the SMILES notation for 1-methoxy-2,2-dimethylpropane;molecular hydrogen?
The canonical SMILES for 1-methoxy-2,2-dimethylpropane;molecular hydrogen is COCC(C)(C)C.[H][H].
What is the InChIKey of 1-methoxy-2,2-dimethylpropane;molecular hydrogen?
The InChIKey is BZTQHHHKWHNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.H2/c1-6(2,3)5-7-4;/h5H2,1-4H3;1H.
What are the key properties of 1-methoxy-2,2-dimethylpropane;molecular hydrogen?
1-methoxy-2,2-dimethylpropane;molecular hydrogen has a molecular weight of 104.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethylpropane;molecular hydrogen is sourced from PubChem (CID 167547709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).