acetic acid;(3-methoxy-3-methylbutyl) acetate

C10H20O5 — CID 162329695

IUPACacetic acid;(3-methoxy-3-methylbutyl) acetate
SMILESCC(=O)O.COC(C)(C)CCOC(C)=O
InChIInChI=1S/C8H16O3.C2H4O2/c1-7(9)11-6-5-8(2,3)10-4;1-2(3)4/h5-6H2,1-4H3;1H3,(H,3,4)
InChIKeySSFWPKPPLIMMHL-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.46
Rot. Bonds4

About acetic acid;(3-methoxy-3-methylbutyl) acetate

acetic acid;(3-methoxy-3-methylbutyl) acetate (PubChem CID 162329695) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is acetic acid;(3-methoxy-3-methylbutyl) acetate.

Molecular Properties

Compound Nameacetic acid;(3-methoxy-3-methylbutyl) acetate
PubChem CID162329695
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameacetic acid;(3-methoxy-3-methylbutyl) acetate
SMILESCC(=O)O.COC(C)(C)CCOC(C)=O
InChIInChI=1S/C8H16O3.C2H4O2/c1-7(9)11-6-5-8(2,3)10-4;1-2(3)4/h5-6H2,1-4H3;1H3,(H,3,4)
InChIKeySSFWPKPPLIMMHL-UHFFFAOYSA-N
XLogP1.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
(3-methoxy-3-methylbutyl) but-2-enoate
CID 161484062
4-(3-methoxy-3-methylbutoxy)butan-2-one
CID 58421309
(3-methoxy-3-methylbutyl) (2R)-2-amino-4-methylsulfanylbutanoate
CID 106666200
3,3,3-trichloropropyl acetate
CID 14970937
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668506
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034

Frequently Asked Questions

What is the IUPAC name of acetic acid;(3-methoxy-3-methylbutyl) acetate?
The IUPAC name of acetic acid;(3-methoxy-3-methylbutyl) acetate (CID 162329695) is acetic acid;(3-methoxy-3-methylbutyl) acetate.
What is the SMILES notation for acetic acid;(3-methoxy-3-methylbutyl) acetate?
The canonical SMILES for acetic acid;(3-methoxy-3-methylbutyl) acetate is CC(=O)O.COC(C)(C)CCOC(C)=O.
What is the InChIKey of acetic acid;(3-methoxy-3-methylbutyl) acetate?
The InChIKey is SSFWPKPPLIMMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C2H4O2/c1-7(9)11-6-5-8(2,3)10-4;1-2(3)4/h5-6H2,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;(3-methoxy-3-methylbutyl) acetate?
acetic acid;(3-methoxy-3-methylbutyl) acetate has a molecular weight of 220.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3-methoxy-3-methylbutyl) acetate is sourced from PubChem (CID 162329695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).