2,2-di(propan-2-yl)-1,3-dioxan-5-ol

C10H20O3 — CID 130130321

IUPAC2,2-di(propan-2-yl)-1,3-dioxan-5-ol
SMILESCC(C)C1(C(C)C)OCC(O)CO1
InChIInChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-5-9(11)6-13-10/h7-9,11H,5-6H2,1-4H3
InChIKeyMXPXEGOIPMAGEI-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.40
Rot. Bonds2

About 2,2-di(propan-2-yl)-1,3-dioxan-5-ol

2,2-di(propan-2-yl)-1,3-dioxan-5-ol (PubChem CID 130130321) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-1,3-dioxan-5-ol
PubChem CID130130321
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-di(propan-2-yl)-1,3-dioxan-5-ol
SMILESCC(C)C1(C(C)C)OCC(O)CO1
InChIInChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-5-9(11)6-13-10/h7-9,11H,5-6H2,1-4H3
InChIKeyMXPXEGOIPMAGEI-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-di(propan-2-yl)-1,3-dioxane;2,2-di(propan-2-yl)-1,3-dioxolane;methane
CID 158994829
oxolane-2,2,4-triol
CID 20742692
4,6-dimethyl-2,2-di(propan-2-yl)-1,3-dioxane
CID 70641039
(1S,3S,5R)-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 95565705
2,2-dimethyl-4-propan-2-yloxolan-3-ol
CID 126985762
(1R,2S,3S,7S,8S,9S)-11,11-di(propan-2-yl)spiro[4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-5,1'-cyclohexane]-2,8-diol
CID 131971280
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
methyl 2-(5-hydroxy-2-methyl-1,3-dioxan-2-yl)acetate
CID 130129881
4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane-2,10-diol
CID 162845079
2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
CID 176797226
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938
(2R,5R,8S,10R)-4,7,12,14-tetraoxadispiro[4.2.48.25]tetradecane-2,10-diol
CID 101077453

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-1,3-dioxan-5-ol?
The IUPAC name of 2,2-di(propan-2-yl)-1,3-dioxan-5-ol (CID 130130321) is 2,2-di(propan-2-yl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2,2-di(propan-2-yl)-1,3-dioxan-5-ol?
The canonical SMILES for 2,2-di(propan-2-yl)-1,3-dioxan-5-ol is CC(C)C1(C(C)C)OCC(O)CO1.
What is the InChIKey of 2,2-di(propan-2-yl)-1,3-dioxan-5-ol?
The InChIKey is MXPXEGOIPMAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-5-9(11)6-13-10/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-1,3-dioxan-5-ol?
2,2-di(propan-2-yl)-1,3-dioxan-5-ol has a molecular weight of 188.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-1,3-dioxan-5-ol is sourced from PubChem (CID 130130321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).