2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane

C16H32O4 — CID 157177616

IUPAC2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
SMILESCC(C)(C)C1OCCO1.CCC1COC(C(C)(C)C)O1
InChIInChI=1S/C9H18O2.C7H14O2/c1-5-7-6-10-8(11-7)9(2,3)4;1-7(2,3)6-8-4-5-9-6/h7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3
InChIKeyAOEUTLQKBNUFJU-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.59
Rot. Bonds1

About 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane

2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane (PubChem CID 157177616) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
PubChem CID157177616
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane
SMILESCC(C)(C)C1OCCO1.CCC1COC(C(C)(C)C)O1
InChIInChI=1S/C9H18O2.C7H14O2/c1-5-7-6-10-8(11-7)9(2,3)4;1-7(2,3)6-8-4-5-9-6/h7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3
InChIKeyAOEUTLQKBNUFJU-UHFFFAOYSA-N
XLogP3.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonylmethyl)-2-tert-butyl-1,3-dioxolane
CID 162457023
(4S)-2-tert-butyl-4-hexyl-1,3-dioxane
CID 16686367
(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
CID 170847914
tetrakis(2-ethyloxirane);methane
CID 162010408
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
2-tert-butyl-1,3-dioxan-5-ol
CID 10931729
dimethylsilane;2-ethyloxirane
CID 175208147
ethane-1,2-diol;2-ethyloxirane
CID 23290341
ethane;2-ethyl-1,4-dioxane
CID 170734415
ethane;2-ethyloxirane;hexane
CID 91113410
1-[(2S,5R)-5-(3,3-dimethyl-2-oxobutyl)-1,4-dioxan-2-yl]-3,3-dimethylbutan-2-one
CID 10859042
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane (CID 157177616) is 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane is CC(C)(C)C1OCCO1.CCC1COC(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane?
The InChIKey is AOEUTLQKBNUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C7H14O2/c1-5-7-6-10-8(11-7)9(2,3)4;1-7(2,3)6-8-4-5-9-6/h7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane?
2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane has a molecular weight of 288.43 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dioxolane;2-tert-butyl-4-ethyl-1,3-dioxolane is sourced from PubChem (CID 157177616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).