butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane

C18H38O5 — CID 160815637

IUPACbutan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
SMILESCCC(C)O.CCC(C)OC(C)=O.CCC1CC(C)OC(C)O1
InChIInChI=1S/C8H16O2.C6H12O2.C4H10O/c1-4-8-5-6(2)9-7(3)10-8;1-4-5(2)8-6(3)7;1-3-4(2)5/h6-8H,4-5H2,1-3H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3
InChIKeySEWCOWFREYSGTP-UHFFFAOYSA-N
MW334.50 g/mol
LogP4.06
Rot. Bonds4

About butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane

butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane (PubChem CID 160815637) has the molecular formula C18H38O5 and a molecular weight of 334.50 g/mol. Its IUPAC name is butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane.

Molecular Properties

Compound Namebutan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
PubChem CID160815637
Molecular FormulaC18H38O5
Molecular Weight334.50 g/mol
Exact Mass334.27
IUPAC Namebutan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
SMILESCCC(C)O.CCC(C)OC(C)=O.CCC1CC(C)OC(C)O1
InChIInChI=1S/C8H16O2.C6H12O2.C4H10O/c1-4-8-5-6(2)9-7(3)10-8;1-4-5(2)8-6(3)7;1-3-4(2)5/h6-8H,4-5H2,1-3H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3
InChIKeySEWCOWFREYSGTP-UHFFFAOYSA-N
XLogP4.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane with MolForge

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Related Compounds

4-acetyloxyhexan-2-yl acetate;butan-2-ol;4-ethyl-6-methyl-2-propyl-1,3-dioxane
CID 160642242
sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
2-acetyloxyethyl 2-methylprop-2-enoate;butan-2-ol;butan-2-yl acetate;butan-2-yl benzoate;carbon dioxide;4-ethyl-6-methyl-2-propyl-1,3-dioxane
CID 123334010
butan-2-yl acetate;2-methylpropan-1-ol
CID 158287045
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate
CID 20683523
[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate;methane
CID 158241686
4-ethyl-6-methyl-2-propan-2-yl-1,3-dioxane
CID 118673252
butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxymethoxy)prop-2-enyl acetate;methane
CID 159335875
butan-2-yl acetate;prop-2-enoic acid
CID 167635036
[5-[6-[(6-ethyl-2-methyl-1,3-dioxan-4-yl)methyl]-2-propyl-1,3-dioxan-4-yl]-4-hydroxy-1-[6-methyl-2-(4-methylphenyl)-1,3-dioxan-4-yl]pentan-2-yl] acetate
CID 20584100

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane?
The IUPAC name of butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane (CID 160815637) is butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane.
What is the SMILES notation for butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane?
The canonical SMILES for butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane is CCC(C)O.CCC(C)OC(C)=O.CCC1CC(C)OC(C)O1.
What is the InChIKey of butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane?
The InChIKey is SEWCOWFREYSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H12O2.C4H10O/c1-4-8-5-6(2)9-7(3)10-8;1-4-5(2)8-6(3)7;1-3-4(2)5/h6-8H,4-5H2,1-3H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane?
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane has a molecular weight of 334.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane is sourced from PubChem (CID 160815637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).