2-methoxy-2-methylpropane;hydrate

C5H14O2 — CID 23212559

IUPAC2-methoxy-2-methylpropane;hydrate
SMILESCOC(C)(C)C.O
InChIInChI=1S/C5H12O.H2O/c1-5(2,3)6-4;/h1-4H3;1H2
InChIKeyFBCWFOLOHWOWFX-UHFFFAOYSA-N
MW106.16 g/mol
LogP0.61
Rot. Bonds

About 2-methoxy-2-methylpropane;hydrate

2-methoxy-2-methylpropane;hydrate (PubChem CID 23212559) has the molecular formula C5H14O2 and a molecular weight of 106.16 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;hydrate.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;hydrate
PubChem CID23212559
Molecular FormulaC5H14O2
Molecular Weight106.16 g/mol
Exact Mass106.10
IUPAC Name2-methoxy-2-methylpropane;hydrate
SMILESCOC(C)(C)C.O
InChIInChI=1S/C5H12O.H2O/c1-5(2,3)6-4;/h1-4H3;1H2
InChIKeyFBCWFOLOHWOWFX-UHFFFAOYSA-N
XLogP0.61
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;hydrate?
The IUPAC name of 2-methoxy-2-methylpropane;hydrate (CID 23212559) is 2-methoxy-2-methylpropane;hydrate.
What is the SMILES notation for 2-methoxy-2-methylpropane;hydrate?
The canonical SMILES for 2-methoxy-2-methylpropane;hydrate is COC(C)(C)C.O.
What is the InChIKey of 2-methoxy-2-methylpropane;hydrate?
The InChIKey is FBCWFOLOHWOWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.H2O/c1-5(2,3)6-4;/h1-4H3;1H2.
What are the key properties of 2-methoxy-2-methylpropane;hydrate?
2-methoxy-2-methylpropane;hydrate has a molecular weight of 106.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;hydrate is sourced from PubChem (CID 23212559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).