2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol

C10H20O4 — CID 10856599

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol
SMILESCC1(C)COC(C(C)(C)CO)OC1O
InChIInChI=1S/C10H20O4/c1-9(2,5-11)8-13-6-10(3,4)7(12)14-8/h7-8,11-12H,5-6H2,1-4H3
InChIKeyJCSRUMTWEDBYPT-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.72
Rot. Bonds2

About 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol

2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol (PubChem CID 10856599) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol
PubChem CID10856599
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol
SMILESCC1(C)COC(C(C)(C)CO)OC1O
InChIInChI=1S/C10H20O4/c1-9(2,5-11)8-13-6-10(3,4)7(12)14-8/h7-8,11-12H,5-6H2,1-4H3
InChIKeyJCSRUMTWEDBYPT-UHFFFAOYSA-N
XLogP0.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol (CID 10856599) is 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol is CC1(C)COC(C(C)(C)CO)OC1O.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol?
The InChIKey is JCSRUMTWEDBYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,5-11)8-13-6-10(3,4)7(12)14-8/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol?
2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol has a molecular weight of 204.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-5,5-dimethyl-1,3-dioxan-4-ol is sourced from PubChem (CID 10856599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).