2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol

C12H28O6 — CID 134692469

IUPAC2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(CO)OC(C)CO.CC(O)COCC(C)O
InChIInChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-5(3-7)9-6(2)4-8/h2*5-8H,3-4H2,1-2H3
InChIKeyBPRJQFIHEGORJE-UHFFFAOYSA-N
MW268.35 g/mol
LogP-0.47
Rot. Bonds8

About 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol

2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol (PubChem CID 134692469) has the molecular formula C12H28O6 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
PubChem CID134692469
Molecular FormulaC12H28O6
Molecular Weight268.35 g/mol
Exact Mass268.19
IUPAC Name2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(CO)OC(C)CO.CC(O)COCC(C)O
InChIInChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-5(3-7)9-6(2)4-8/h2*5-8H,3-4H2,1-2H3
InChIKeyBPRJQFIHEGORJE-UHFFFAOYSA-N
XLogP-0.47
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol (CID 134692469) is 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol is CC(CO)OC(C)CO.CC(O)COCC(C)O.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The InChIKey is BPRJQFIHEGORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-5(3-7)9-6(2)4-8/h2*5-8H,3-4H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol has a molecular weight of 268.35 g/mol, XLogP of -0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 134692469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).