2-tert-butyl-1,3-dioxan-5-ol

C8H16O3 — CID 10931729

IUPAC2-tert-butyl-1,3-dioxan-5-ol
SMILESCC(C)(C)C1OCC(O)CO1
InChIInChI=1S/C8H16O3/c1-8(2,3)7-10-4-6(9)5-11-7/h6-7,9H,4-5H2,1-3H3
InChIKeyQDSMAIBOQLTGCC-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds

About 2-tert-butyl-1,3-dioxan-5-ol

2-tert-butyl-1,3-dioxan-5-ol (PubChem CID 10931729) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-tert-butyl-1,3-dioxan-5-ol
PubChem CID10931729
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-tert-butyl-1,3-dioxan-5-ol
SMILESCC(C)(C)C1OCC(O)CO1
InChIInChI=1S/C8H16O3/c1-8(2,3)7-10-4-6(9)5-11-7/h6-7,9H,4-5H2,1-3H3
InChIKeyQDSMAIBOQLTGCC-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dioxan-5-ol?
The IUPAC name of 2-tert-butyl-1,3-dioxan-5-ol (CID 10931729) is 2-tert-butyl-1,3-dioxan-5-ol.
What is the SMILES notation for 2-tert-butyl-1,3-dioxan-5-ol?
The canonical SMILES for 2-tert-butyl-1,3-dioxan-5-ol is CC(C)(C)C1OCC(O)CO1.
What is the InChIKey of 2-tert-butyl-1,3-dioxan-5-ol?
The InChIKey is QDSMAIBOQLTGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,3)7-10-4-6(9)5-11-7/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-dioxan-5-ol?
2-tert-butyl-1,3-dioxan-5-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dioxan-5-ol is sourced from PubChem (CID 10931729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).