2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol

C11H22O3 — CID 83819521

IUPAC2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol
SMILESCC(C)(O)C1(C(C)(C)O)CCOCC1
InChIInChI=1S/C11H22O3/c1-9(2,12)11(10(3,4)13)5-7-14-8-6-11/h12-13H,5-8H2,1-4H3
InChIKeyKATDEXGRUSNXBH-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.33
Rot. Bonds2

About 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol

2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol (PubChem CID 83819521) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol
PubChem CID83819521
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol
SMILESCC(C)(O)C1(C(C)(C)O)CCOCC1
InChIInChI=1S/C11H22O3/c1-9(2,12)11(10(3,4)13)5-7-14-8-6-11/h12-13H,5-8H2,1-4H3
InChIKeyKATDEXGRUSNXBH-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol (CID 83819521) is 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol is CC(C)(O)C1(C(C)(C)O)CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol?
The InChIKey is KATDEXGRUSNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2,12)11(10(3,4)13)5-7-14-8-6-11/h12-13H,5-8H2,1-4H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol?
2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol is sourced from PubChem (CID 83819521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).