4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane

C13H24O4 — CID 547773

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane
SMILESCC1OC(C)(C)OC(C2COC(C)(C)O2)C1C
InChIInChI=1S/C13H24O4/c1-8-9(2)15-13(5,6)17-11(8)10-7-14-12(3,4)16-10/h8-11H,7H2,1-6H3
InChIKeyKIRVYNIAUUFERC-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.31
Rot. Bonds1

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane (PubChem CID 547773) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane
PubChem CID547773
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane
SMILESCC1OC(C)(C)OC(C2COC(C)(C)O2)C1C
InChIInChI=1S/C13H24O4/c1-8-9(2)15-13(5,6)17-11(8)10-7-14-12(3,4)16-10/h8-11H,7H2,1-6H3
InChIKeyKIRVYNIAUUFERC-UHFFFAOYSA-N
XLogP2.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-4,6-dideoxy-2,3-O-isopropylidene-4-methylpyranoside
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CID 10241889
Methyl-6-deoxy-2,3-isopropylidene-4-methylene lyxo-pyranoside
CID 194715
(2R,3R)-2,3,7-trimethyl-1,4,10-trioxaspiro[4.5]decane
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CID 134974898
(1R,2S,4R)-2-(cyclohexylmethoxy)-5-(fluoromethyl)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384704
(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134878060
CID 134880610
CID 134880610
(4S,5S)-2,2,4-trimethyl-5-[(1R)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134895149
(4R,5S)-2,2,4-trimethyl-5-[(1R)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134895203
(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
CID 134964241
4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane (CID 547773) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane is CC1OC(C)(C)OC(C2COC(C)(C)O2)C1C.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane?
The InChIKey is KIRVYNIAUUFERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-8-9(2)15-13(5,6)17-11(8)10-7-14-12(3,4)16-10/h8-11H,7H2,1-6H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane has a molecular weight of 244.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,5,6-tetramethyl-1,3-dioxane is sourced from PubChem (CID 547773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).