2,5,5-trimethyl-1,3-dioxan-2-ol

C7H14O3 — CID 71420298

IUPAC2,5,5-trimethyl-1,3-dioxan-2-ol
SMILESCC1(C)COC(C)(O)OC1
InChIInChI=1S/C7H14O3/c1-6(2)4-9-7(3,8)10-5-6/h8H,4-5H2,1-3H3
InChIKeyIWFKKALNQWWUKT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.73
Rot. Bonds

About 2,5,5-trimethyl-1,3-dioxan-2-ol

2,5,5-trimethyl-1,3-dioxan-2-ol (PubChem CID 71420298) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,5,5-trimethyl-1,3-dioxan-2-ol.

Molecular Properties

Compound Name2,5,5-trimethyl-1,3-dioxan-2-ol
PubChem CID71420298
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2,5,5-trimethyl-1,3-dioxan-2-ol
SMILESCC1(C)COC(C)(O)OC1
InChIInChI=1S/C7H14O3/c1-6(2)4-9-7(3,8)10-5-6/h8H,4-5H2,1-3H3
InChIKeyIWFKKALNQWWUKT-UHFFFAOYSA-N
XLogP0.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1,3-dioxan-2-ol?
The IUPAC name of 2,5,5-trimethyl-1,3-dioxan-2-ol (CID 71420298) is 2,5,5-trimethyl-1,3-dioxan-2-ol.
What is the SMILES notation for 2,5,5-trimethyl-1,3-dioxan-2-ol?
The canonical SMILES for 2,5,5-trimethyl-1,3-dioxan-2-ol is CC1(C)COC(C)(O)OC1.
What is the InChIKey of 2,5,5-trimethyl-1,3-dioxan-2-ol?
The InChIKey is IWFKKALNQWWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)4-9-7(3,8)10-5-6/h8H,4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1,3-dioxan-2-ol?
2,5,5-trimethyl-1,3-dioxan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1,3-dioxan-2-ol is sourced from PubChem (CID 71420298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).