5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane

C12H18O3 — CID 70895233

IUPAC5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane
SMILESCCC(C)C1COC(c2ccco2)OC1
InChIInChI=1S/C12H18O3/c1-3-9(2)10-7-14-12(15-8-10)11-5-4-6-13-11/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyUDFCWAUAMJWKHX-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.99
Rot. Bonds3

About 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane

5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane (PubChem CID 70895233) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane
PubChem CID70895233
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane
SMILESCCC(C)C1COC(c2ccco2)OC1
InChIInChI=1S/C12H18O3/c1-3-9(2)10-7-14-12(15-8-10)11-5-4-6-13-11/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyUDFCWAUAMJWKHX-UHFFFAOYSA-N
XLogP2.99
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-2-(furan-2-yl)-1,3-dioxolane
CID 89076481
(2S,4S)-2-butan-2-yl-4-(furan-2-yl)-1-methylpyrrolidine
CID 67522564
[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
CID 566076
3-(furan-2-yl)-6,6-dimethyl-1,2,4-trioxane
CID 101108105
N-butan-2-yl-N-butyl-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851729
(1S)-1-[(1R,2S)-2-(furan-2-yl)cyclopropyl]ethanamine
CID 29079255
ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane
CID 159021509
2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanol
CID 115830123
2-(furan-2-yl)-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 6421742
1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403177
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
2-(4-propylcyclohexyl)furan
CID 174853183

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane?
The IUPAC name of 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane (CID 70895233) is 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane.
What is the SMILES notation for 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane?
The canonical SMILES for 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane is CCC(C)C1COC(c2ccco2)OC1.
What is the InChIKey of 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane?
The InChIKey is UDFCWAUAMJWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-9(2)10-7-14-12(15-8-10)11-5-4-6-13-11/h4-6,9-10,12H,3,7-8H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane?
5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane has a molecular weight of 210.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(furan-2-yl)-1,3-dioxane is sourced from PubChem (CID 70895233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).