ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane

C14H30O3 — CID 87296519

IUPACethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
SMILESCC(C)C(C)OC(C)C(C)C.CCOC(C)=O
InChIInChI=1S/C10H22O.C4H8O2/c1-7(2)9(5)11-10(6)8(3)4;1-3-6-4(2)5/h7-10H,1-6H3;3H2,1-2H3
InChIKeyASHDCZICXAGBCV-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.66
Rot. Bonds5

About ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane

ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane (PubChem CID 87296519) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane.

Molecular Properties

Compound Nameethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
PubChem CID87296519
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Nameethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
SMILESCC(C)C(C)OC(C)C(C)C.CCOC(C)=O
InChIInChI=1S/C10H22O.C4H8O2/c1-7(2)9(5)11-10(6)8(3)4;1-3-6-4(2)5/h7-10H,1-6H3;3H2,1-2H3
InChIKeyASHDCZICXAGBCV-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87186921
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ethyl acetate;hydroiodide
CID 159926796
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ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;λ2-plumbane
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ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;trihydrochloride
CID 141039771

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The IUPAC name of ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane (CID 87296519) is ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane.
What is the SMILES notation for ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The canonical SMILES for ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane is CC(C)C(C)OC(C)C(C)C.CCOC(C)=O.
What is the InChIKey of ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane?
The InChIKey is ASHDCZICXAGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C4H8O2/c1-7(2)9(5)11-10(6)8(3)4;1-3-6-4(2)5/h7-10H,1-6H3;3H2,1-2H3.
What are the key properties of ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane?
ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane has a molecular weight of 246.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane is sourced from PubChem (CID 87296519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).