2-methyl-1-(2-methylpropoxy)propane

C8H18O — CID 12346

IUPAC2-methyl-1-(2-methylpropoxy)propane
SMILESCC(C)COCC(C)C
InChIInChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeySZNYYWIUQFZLLT-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-1-(2-methylpropoxy)propane

2-methyl-1-(2-methylpropoxy)propane (PubChem CID 12346) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropoxy)propane
PubChem CID12346
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2-methyl-1-(2-methylpropoxy)propane
SMILESCC(C)COCC(C)C
InChIInChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeySZNYYWIUQFZLLT-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropoxy)propane?
The IUPAC name of 2-methyl-1-(2-methylpropoxy)propane (CID 12346) is 2-methyl-1-(2-methylpropoxy)propane.
What is the SMILES notation for 2-methyl-1-(2-methylpropoxy)propane?
The canonical SMILES for 2-methyl-1-(2-methylpropoxy)propane is CC(C)COCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropoxy)propane?
The InChIKey is SZNYYWIUQFZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropoxy)propane?
2-methyl-1-(2-methylpropoxy)propane has a molecular weight of 130.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropoxy)propane is sourced from PubChem (CID 12346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).