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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Related Compounds

2-(trifluoromethyl)-1,3-dioxan-5-ol
CID 151166447
(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604
(3R,5S)-5-tert-butyloxolan-3-ol
CID 129415677
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
CID 170847914
2-tert-butyl-4,7-dihydro-1,3-dioxepine
CID 11062630
2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
CID 157177616
2-tert-butyl-1,3,2-dioxaborinan-5-ol
CID 171401291
6-tert-butyl-1,5,7-trioxaspiro[2.5]octane
CID 10654770
3,10-ditert-butyl-2,4,9,11,13-pentaoxadispiro[5.0.57.16]tridecane
CID 10590344
2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 166083295

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).