methanol;methyl acetate;2-methylpropan-1-ol

C8H20O4 — CID 87865598

IUPACmethanol;methyl acetate;2-methylpropan-1-ol
SMILESCC(C)CO.CO.COC(C)=O
InChIInChI=1S/C4H10O.C3H6O2.CH4O/c1-4(2)3-5;1-3(4)5-2;1-2/h4-5H,3H2,1-2H3;1-2H3;2H,1H3
InChIKeyYTVHBHBBELPDPG-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.42
Rot. Bonds1

About methanol;methyl acetate;2-methylpropan-1-ol

methanol;methyl acetate;2-methylpropan-1-ol (PubChem CID 87865598) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is methanol;methyl acetate;2-methylpropan-1-ol.

Molecular Properties

Compound Namemethanol;methyl acetate;2-methylpropan-1-ol
PubChem CID87865598
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Namemethanol;methyl acetate;2-methylpropan-1-ol
SMILESCC(C)CO.CO.COC(C)=O
InChIInChI=1S/C4H10O.C3H6O2.CH4O/c1-4(2)3-5;1-3(4)5-2;1-2/h4-5H,3H2,1-2H3;1-2H3;2H,1H3
InChIKeyYTVHBHBBELPDPG-UHFFFAOYSA-N
XLogP0.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanol;methyl acetate;2-methylpropan-1-ol?
The IUPAC name of methanol;methyl acetate;2-methylpropan-1-ol (CID 87865598) is methanol;methyl acetate;2-methylpropan-1-ol.
What is the SMILES notation for methanol;methyl acetate;2-methylpropan-1-ol?
The canonical SMILES for methanol;methyl acetate;2-methylpropan-1-ol is CC(C)CO.CO.COC(C)=O.
What is the InChIKey of methanol;methyl acetate;2-methylpropan-1-ol?
The InChIKey is YTVHBHBBELPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O2.CH4O/c1-4(2)3-5;1-3(4)5-2;1-2/h4-5H,3H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of methanol;methyl acetate;2-methylpropan-1-ol?
methanol;methyl acetate;2-methylpropan-1-ol has a molecular weight of 180.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl acetate;2-methylpropan-1-ol is sourced from PubChem (CID 87865598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).