2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane

C13H30O4 — CID 174682815

IUPAC2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane
SMILESCC(C)COC(C)C.CC(O)COC(C)CO
InChIInChI=1S/C7H16O.C6H14O3/c1-6(2)5-8-7(3)4;1-5(8)4-9-6(2)3-7/h6-7H,5H2,1-4H3;5-8H,3-4H2,1-2H3
InChIKeyZOKYMBUCVJGYQJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.83
Rot. Bonds7

About 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane

2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane (PubChem CID 174682815) has the molecular formula C13H30O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane
PubChem CID174682815
Molecular FormulaC13H30O4
Molecular Weight250.38 g/mol
Exact Mass250.21
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane
SMILESCC(C)COC(C)C.CC(O)COC(C)CO
InChIInChI=1S/C7H16O.C6H14O3/c1-6(2)5-8-7(3)4;1-5(8)4-9-6(2)3-7/h6-7H,5H2,1-4H3;5-8H,3-4H2,1-2H3
InChIKeyZOKYMBUCVJGYQJ-UHFFFAOYSA-N
XLogP1.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane (CID 174682815) is 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane is CC(C)COC(C)C.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane?
The InChIKey is ZOKYMBUCVJGYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C6H14O3/c1-6(2)5-8-7(3)4;1-5(8)4-9-6(2)3-7/h6-7H,5H2,1-4H3;5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane?
2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane has a molecular weight of 250.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;2-methyl-1-propan-2-yloxypropane is sourced from PubChem (CID 174682815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).