2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol

C7H14O4 — CID 57253133

IUPAC2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol
SMILESCC(C)(O)C1(O)COCCO1
InChIInChI=1S/C7H14O4/c1-6(2,8)7(9)5-10-3-4-11-7/h8-9H,3-5H2,1-2H3
InChIKeyUOXVUUWBWSXELL-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds1

About 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol

2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol (PubChem CID 57253133) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol
PubChem CID57253133
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol
SMILESCC(C)(O)C1(O)COCCO1
InChIInChI=1S/C7H14O4/c1-6(2,8)7(9)5-10-3-4-11-7/h8-9H,3-5H2,1-2H3
InChIKeyUOXVUUWBWSXELL-UHFFFAOYSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol (CID 57253133) is 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol is CC(C)(O)C1(O)COCCO1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol?
The InChIKey is UOXVUUWBWSXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-6(2,8)7(9)5-10-3-4-11-7/h8-9H,3-5H2,1-2H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol?
2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-1,4-dioxan-2-ol is sourced from PubChem (CID 57253133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).