acetic acid;2-methyl-1-(2-methylpropoxy)propane

C10H22O3 — CID 87879635

IUPACacetic acid;2-methyl-1-(2-methylpropoxy)propane
SMILESCC(=O)O.CC(C)COCC(C)C
InChIInChI=1S/C8H18O.C2H4O2/c1-7(2)5-9-6-8(3)4;1-2(3)4/h7-8H,5-6H2,1-4H3;1H3,(H,3,4)
InChIKeyZVRGTKOYXFVJFA-UHFFFAOYSA-N
MW190.28 g/mol
LogP2.41
Rot. Bonds4

About acetic acid;2-methyl-1-(2-methylpropoxy)propane

acetic acid;2-methyl-1-(2-methylpropoxy)propane (PubChem CID 87879635) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is acetic acid;2-methyl-1-(2-methylpropoxy)propane.

Molecular Properties

Compound Nameacetic acid;2-methyl-1-(2-methylpropoxy)propane
PubChem CID87879635
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Nameacetic acid;2-methyl-1-(2-methylpropoxy)propane
SMILESCC(=O)O.CC(C)COCC(C)C
InChIInChI=1S/C8H18O.C2H4O2/c1-7(2)5-9-6-8(3)4;1-2(3)4/h7-8H,5-6H2,1-4H3;1H3,(H,3,4)
InChIKeyZVRGTKOYXFVJFA-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-1-(2-methylpropoxy)propane?
The IUPAC name of acetic acid;2-methyl-1-(2-methylpropoxy)propane (CID 87879635) is acetic acid;2-methyl-1-(2-methylpropoxy)propane.
What is the SMILES notation for acetic acid;2-methyl-1-(2-methylpropoxy)propane?
The canonical SMILES for acetic acid;2-methyl-1-(2-methylpropoxy)propane is CC(=O)O.CC(C)COCC(C)C.
What is the InChIKey of acetic acid;2-methyl-1-(2-methylpropoxy)propane?
The InChIKey is ZVRGTKOYXFVJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H4O2/c1-7(2)5-9-6-8(3)4;1-2(3)4/h7-8H,5-6H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-1-(2-methylpropoxy)propane?
acetic acid;2-methyl-1-(2-methylpropoxy)propane has a molecular weight of 190.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-1-(2-methylpropoxy)propane is sourced from PubChem (CID 87879635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).