2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol

C14H30O5 — CID 155239977

IUPAC2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol
SMILESCC(C)OCC(COC(C)(C)CO)OC(C)(C)CO
InChIInChI=1S/C14H30O5/c1-11(2)17-7-12(19-14(5,6)10-16)8-18-13(3,4)9-15/h11-12,15-16H,7-10H2,1-6H3
InChIKeyPYYAHQBAGDWEQJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.36
Rot. Bonds10

About 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol

2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol (PubChem CID 155239977) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol
PubChem CID155239977
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol
SMILESCC(C)OCC(COC(C)(C)CO)OC(C)(C)CO
InChIInChI=1S/C14H30O5/c1-11(2)17-7-12(19-14(5,6)10-16)8-18-13(3,4)9-15/h11-12,15-16H,7-10H2,1-6H3
InChIKeyPYYAHQBAGDWEQJ-UHFFFAOYSA-N
XLogP1.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-di(propan-2-yloxy)propoxy]-2-methylpropan-1-ol
CID 155007272
2-[1,3-di(propan-2-yloxy)propan-2-yloxy]-1-methoxy-4,4-dimethylpentan-2-ol
CID 121265086
2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol
CID 170288800
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
CID 123652113
1,3-bis[1,3-bis(2,4,4-trimethylpentan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 123567720
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
2-(methylamino)-3-propan-2-yloxypropan-1-ol
CID 64803823
(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate
CID 137483951
1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
CID 112575304
3-methyl-2-(propan-2-yloxymethyl)butane-1,2,3-triol
CID 89015662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol (CID 155239977) is 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol is CC(C)OCC(COC(C)(C)CO)OC(C)(C)CO.
What is the InChIKey of 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol?
The InChIKey is PYYAHQBAGDWEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-11(2)17-7-12(19-14(5,6)10-16)8-18-13(3,4)9-15/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol?
2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxy-2-methylpropan-2-yl)oxy-3-propan-2-yloxypropoxy]-2-methylpropan-1-ol is sourced from PubChem (CID 155239977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).