methoxymethyl 2,2-dimethylbutanoate

C8H16O3 — CID 18731138

IUPACmethoxymethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCOC
InChIInChI=1S/C8H16O3/c1-5-8(2,3)7(9)11-6-10-4/h5-6H2,1-4H3
InChIKeyCVFFVALYXIGOAQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.57
Rot. Bonds4

About methoxymethyl 2,2-dimethylbutanoate

methoxymethyl 2,2-dimethylbutanoate (PubChem CID 18731138) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methoxymethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethoxymethyl 2,2-dimethylbutanoate
PubChem CID18731138
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethoxymethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCOC
InChIInChI=1S/C8H16O3/c1-5-8(2,3)7(9)11-6-10-4/h5-6H2,1-4H3
InChIKeyCVFFVALYXIGOAQ-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2,2-dimethylbutanoate?
The IUPAC name of methoxymethyl 2,2-dimethylbutanoate (CID 18731138) is methoxymethyl 2,2-dimethylbutanoate.
What is the SMILES notation for methoxymethyl 2,2-dimethylbutanoate?
The canonical SMILES for methoxymethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCOC.
What is the InChIKey of methoxymethyl 2,2-dimethylbutanoate?
The InChIKey is CVFFVALYXIGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-8(2,3)7(9)11-6-10-4/h5-6H2,1-4H3.
What are the key properties of methoxymethyl 2,2-dimethylbutanoate?
methoxymethyl 2,2-dimethylbutanoate has a molecular weight of 160.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 18731138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).