(3-methoxy-3-methylbutyl) 2-methoxyacetate

C9H18O4 — CID 44602909

IUPAC(3-methoxy-3-methylbutyl) 2-methoxyacetate
SMILESCOCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C9H18O4/c1-9(2,12-4)5-6-13-8(10)7-11-3/h5-7H2,1-4H3
InChIKeyWACRQUANKDSMNW-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds6

About (3-methoxy-3-methylbutyl) 2-methoxyacetate

(3-methoxy-3-methylbutyl) 2-methoxyacetate (PubChem CID 44602909) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-methoxyacetate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-methoxyacetate
PubChem CID44602909
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(3-methoxy-3-methylbutyl) 2-methoxyacetate
SMILESCOCC(=O)OCCC(C)(C)OC
InChIInChI=1S/C9H18O4/c1-9(2,12-4)5-6-13-8(10)7-11-3/h5-7H2,1-4H3
InChIKeyWACRQUANKDSMNW-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
CID 89073210
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038
(3-methoxy-3-methylbutyl) 2-(propylamino)acetate
CID 106665959
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
2,2-dimethylpropyl 2-methoxyacetate
CID 542358
carboxyoxy (3-methoxy-3-methylbutyl) carbonate
CID 87697093
(3-methoxy-3-methylbutyl) but-2-enoate
CID 161484062
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
(3-methoxy-3-methylbutyl) 4-amino-2-methylbutanoate
CID 106666034

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-methoxyacetate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-methoxyacetate (CID 44602909) is (3-methoxy-3-methylbutyl) 2-methoxyacetate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-methoxyacetate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-methoxyacetate is COCC(=O)OCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-methoxyacetate?
The InChIKey is WACRQUANKDSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-9(2,12-4)5-6-13-8(10)7-11-3/h5-7H2,1-4H3.
What are the key properties of (3-methoxy-3-methylbutyl) 2-methoxyacetate?
(3-methoxy-3-methylbutyl) 2-methoxyacetate has a molecular weight of 190.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-methoxyacetate is sourced from PubChem (CID 44602909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).