1-methoxy-2-methylpropane

C5H12O — CID 12250

IUPAC1-methoxy-2-methylpropane
SMILESCOCC(C)C
InChIInChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3
InChIKeyZYVYEJXMYBUCMN-UHFFFAOYSA-N
MW88.15 g/mol
LogP1.29
Rot. Bonds2

About 1-methoxy-2-methylpropane

1-methoxy-2-methylpropane (PubChem CID 12250) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is 1-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-methoxy-2-methylpropane
PubChem CID12250
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name1-methoxy-2-methylpropane
SMILESCOCC(C)C
InChIInChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3
InChIKeyZYVYEJXMYBUCMN-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylpropane?
The IUPAC name of 1-methoxy-2-methylpropane (CID 12250) is 1-methoxy-2-methylpropane.
What is the SMILES notation for 1-methoxy-2-methylpropane?
The canonical SMILES for 1-methoxy-2-methylpropane is COCC(C)C.
What is the InChIKey of 1-methoxy-2-methylpropane?
The InChIKey is ZYVYEJXMYBUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3.
What are the key properties of 1-methoxy-2-methylpropane?
1-methoxy-2-methylpropane has a molecular weight of 88.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylpropane is sourced from PubChem (CID 12250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).