4-tert-butyl-2-phenyl-1,3-dioxolane

C13H18O2 — CID 13289090

IUPAC4-tert-butyl-2-phenyl-1,3-dioxolane
SMILESCC(C)(C)C1COC(c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyNDZWSPTYULPRLU-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.15
Rot. Bonds1

About 4-tert-butyl-2-phenyl-1,3-dioxolane

4-tert-butyl-2-phenyl-1,3-dioxolane (PubChem CID 13289090) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-1,3-dioxolane
PubChem CID13289090
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-tert-butyl-2-phenyl-1,3-dioxolane
SMILESCC(C)(C)C1COC(c2ccccc2)O1
InChIInChI=1S/C13H18O2/c1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyNDZWSPTYULPRLU-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1,3-dioxolan-4-ol
CID 23288237
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
CID 14202267
4-ethynyl-2-phenyl-1,3-dioxolane
CID 85419917
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-2-phenyl-1,3-dioxolane (CID 13289090) is 4-tert-butyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-2-phenyl-1,3-dioxolane is CC(C)(C)C1COC(c2ccccc2)O1.
What is the InChIKey of 4-tert-butyl-2-phenyl-1,3-dioxolane?
The InChIKey is NDZWSPTYULPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-1,3-dioxolane?
4-tert-butyl-2-phenyl-1,3-dioxolane has a molecular weight of 206.28 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 13289090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).