2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol

C11H24O4 — CID 89255571

IUPAC2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)OC(C)(CC)CO
InChIInChI=1S/C11H24O4/c1-4-6-11(8-13,9-14)15-10(3,5-2)7-12/h12-14H,4-9H2,1-3H3
InChIKeyFETOLEXXSUFNOT-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.69
Rot. Bonds8

About 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol

2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol (PubChem CID 89255571) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol
PubChem CID89255571
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)OC(C)(CC)CO
InChIInChI=1S/C11H24O4/c1-4-6-11(8-13,9-14)15-10(3,5-2)7-12/h12-14H,4-9H2,1-3H3
InChIKeyFETOLEXXSUFNOT-UHFFFAOYSA-N
XLogP0.69
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-(3-methylhexan-3-yloxy)ethanol
CID 87753364
O-(3-methylhexan-3-yl)hydroxylamine
CID 163872522
2,3-dimethyl-2-propylpentane-1,3-diol
CID 54558043
bis(3-methylhexan-3-yl) butanedioate
CID 22726145
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
3-methyl-3-propan-2-yloxypentan-1-ol
CID 123376010
(2,6-dimethyl-4-propylheptan-4-yl)oxysilane
CID 123437790

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol?
The IUPAC name of 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol (CID 89255571) is 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol?
The canonical SMILES for 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol is CCCC(CO)(CO)OC(C)(CC)CO.
What is the InChIKey of 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol?
The InChIKey is FETOLEXXSUFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-4-6-11(8-13,9-14)15-10(3,5-2)7-12/h12-14H,4-9H2,1-3H3.
What are the key properties of 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol?
2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol has a molecular weight of 220.31 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylbutan-2-yl)oxy-2-propylpropane-1,3-diol is sourced from PubChem (CID 89255571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).