methanol;2-methylpropan-2-ol;bis(propan-2-ol)

C11H30O4 — CID 173031794

IUPACmethanol;2-methylpropan-2-ol;bis(propan-2-ol)
SMILESCC(C)(C)O.CC(C)O.CC(C)O.CO
InChIInChI=1S/C4H10O.2C3H8O.CH4O/c1-4(2,3)5;2*1-3(2)4;1-2/h5H,1-3H3;2*3-4H,1-2H3;2H,1H3
InChIKeyKVNLAQVNFPGEIR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.16
Rot. Bonds

About methanol;2-methylpropan-2-ol;bis(propan-2-ol)

methanol;2-methylpropan-2-ol;bis(propan-2-ol) (PubChem CID 173031794) has the molecular formula C11H30O4 and a molecular weight of 226.36 g/mol. Its IUPAC name is methanol;2-methylpropan-2-ol;bis(propan-2-ol).

Molecular Properties

Compound Namemethanol;2-methylpropan-2-ol;bis(propan-2-ol)
PubChem CID173031794
Molecular FormulaC11H30O4
Molecular Weight226.36 g/mol
Exact Mass226.21
IUPAC Namemethanol;2-methylpropan-2-ol;bis(propan-2-ol)
SMILESCC(C)(C)O.CC(C)O.CC(C)O.CO
InChIInChI=1S/C4H10O.2C3H8O.CH4O/c1-4(2,3)5;2*1-3(2)4;1-2/h5H,1-3H3;2*3-4H,1-2H3;2H,1H3
InChIKeyKVNLAQVNFPGEIR-UHFFFAOYSA-N
XLogP1.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290
methanol;pentakis(propan-2-ol)
CID 19010899
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
erbium;propan-2-ol
CID 160843836
niobium;tris(propan-2-ol)
CID 140526066
2-methylpropan-2-ol;titanium(4+)
CID 159912750
cerium;tetrakis(propan-2-ol)
CID 87109563
2-methylpropan-2-ol;molybdenum
CID 174435313
ethane;tetrakis(propan-2-ol)
CID 174681393
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
Indium(III) isopropoxide
CID 159258374
tetrakis(propan-2-ol);samarium
CID 175326578

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpropan-2-ol;bis(propan-2-ol)?
The IUPAC name of methanol;2-methylpropan-2-ol;bis(propan-2-ol) (CID 173031794) is methanol;2-methylpropan-2-ol;bis(propan-2-ol).
What is the SMILES notation for methanol;2-methylpropan-2-ol;bis(propan-2-ol)?
The canonical SMILES for methanol;2-methylpropan-2-ol;bis(propan-2-ol) is CC(C)(C)O.CC(C)O.CC(C)O.CO.
What is the InChIKey of methanol;2-methylpropan-2-ol;bis(propan-2-ol)?
The InChIKey is KVNLAQVNFPGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2C3H8O.CH4O/c1-4(2,3)5;2*1-3(2)4;1-2/h5H,1-3H3;2*3-4H,1-2H3;2H,1H3.
What are the key properties of methanol;2-methylpropan-2-ol;bis(propan-2-ol)?
methanol;2-methylpropan-2-ol;bis(propan-2-ol) has a molecular weight of 226.36 g/mol, XLogP of 1.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpropan-2-ol;bis(propan-2-ol) is sourced from PubChem (CID 173031794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).