methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate

C14H32O3 — CID 161446879

IUPACmethane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate
SMILESC.C.COC(C)(C)C(C)(C)C(C)(C)OC(C)=O
InChIInChI=1S/C12H24O3.2CH4/c1-9(13)15-12(6,7)10(2,3)11(4,5)14-8;;/h1-8H3;2*1H4
InChIKeyVZZYUMUNSNNKJZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds4

About methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate

methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate (PubChem CID 161446879) has the molecular formula C14H32O3 and a molecular weight of 248.41 g/mol. Its IUPAC name is methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate.

Molecular Properties

Compound Namemethane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate
PubChem CID161446879
Molecular FormulaC14H32O3
Molecular Weight248.41 g/mol
Exact Mass248.24
IUPAC Namemethane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate
SMILESC.C.COC(C)(C)C(C)(C)C(C)(C)OC(C)=O
InChIInChI=1S/C12H24O3.2CH4/c1-9(13)15-12(6,7)10(2,3)11(4,5)14-8;;/h1-8H3;2*1H4
InChIKeyVZZYUMUNSNNKJZ-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate?
The IUPAC name of methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate (CID 161446879) is methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate.
What is the SMILES notation for methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate?
The canonical SMILES for methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate is C.C.COC(C)(C)C(C)(C)C(C)(C)OC(C)=O.
What is the InChIKey of methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate?
The InChIKey is VZZYUMUNSNNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.2CH4/c1-9(13)15-12(6,7)10(2,3)11(4,5)14-8;;/h1-8H3;2*1H4.
What are the key properties of methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate?
methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate has a molecular weight of 248.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate is sourced from PubChem (CID 161446879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).