2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol

C13H28O4 — CID 155007272

IUPAC2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol
SMILESCC(C)OCC(COC(C)(C)CO)OC(C)C
InChIInChI=1S/C13H28O4/c1-10(2)15-7-12(17-11(3)4)8-16-13(5,6)9-14/h10-12,14H,7-9H2,1-6H3
InChIKeyQASIENDPAAPHPB-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.99
Rot. Bonds9

About 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol

2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol (PubChem CID 155007272) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol
PubChem CID155007272
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol
SMILESCC(C)OCC(COC(C)(C)CO)OC(C)C
InChIInChI=1S/C13H28O4/c1-10(2)15-7-12(17-11(3)4)8-16-13(5,6)9-14/h10-12,14H,7-9H2,1-6H3
InChIKeyQASIENDPAAPHPB-UHFFFAOYSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol
CID 155239977
1-[2-[2,3-di(propan-2-yloxy)propoxy]propoxy]-2,3-di(propan-2-yloxy)propane
CID 135274448
2,3-di(propan-2-yloxy)propoxymethyl acetate
CID 19748423
1,2-di(propan-2-yloxy)hexane
CID 71465189
1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
CID 135274447
[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
CID 89076649
2-[3-[2-[1-[3-hydroxy-2-(1-hydroxy-3-propoxypropan-2-yl)oxypropoxy]-3-(3-hydroxy-2-methoxypropoxy)propan-2-yl]oxy-3-(3-hydroxy-2-methoxypropoxy)propoxy]-2-[1-(1-hydroxy-3-methoxypropan-2-yl)oxy-3-propan-2-yloxypropan-2-yl]oxypropoxy]-3-methoxypropan-1-ol
CID 155655122
3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
CID 89015662
2-[1,3-di(propan-2-yloxy)propan-2-yloxy]-1-methoxy-4,4-dimethylpentan-2-ol
CID 121265086
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol (CID 155007272) is 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol is CC(C)OCC(COC(C)(C)CO)OC(C)C.
What is the InChIKey of 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol?
The InChIKey is QASIENDPAAPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-10(2)15-7-12(17-11(3)4)8-16-13(5,6)9-14/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol?
2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol has a molecular weight of 248.36 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 155007272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).