2,2-dimethoxyethyl acetate

C6H12O4 — CID 15753000

IUPAC2,2-dimethoxyethyl acetate
SMILESCOC(COC(C)=O)OC
InChIInChI=1S/C6H12O4/c1-5(7)10-4-6(8-2)9-3/h6H,4H2,1-3H3
InChIKeyCVFNMMJJZBWXQP-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.17
Rot. Bonds4

About 2,2-dimethoxyethyl acetate

2,2-dimethoxyethyl acetate (PubChem CID 15753000) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-dimethoxyethyl acetate.

Molecular Properties

Compound Name2,2-dimethoxyethyl acetate
PubChem CID15753000
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2,2-dimethoxyethyl acetate
SMILESCOC(COC(C)=O)OC
InChIInChI=1S/C6H12O4/c1-5(7)10-4-6(8-2)9-3/h6H,4H2,1-3H3
InChIKeyCVFNMMJJZBWXQP-UHFFFAOYSA-N
XLogP0.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethylene glycol diacetate
CID 8121
1-Ethoxyethyl acetate
CID 97895
1,1-Ethanediol, 1,1-diacetate
CID 222536
Acetic acid, 2,2-dimethoxy-, methyl ester
CID 66647
Diethylene glycol monomethyl ether acetate
CID 12384
1,2-Ethanediol, 1-acetate 2-formate
CID 122477
2-((Acetyloxy)methoxy)ethyl acetate
CID 100999
1,4-Dioxane-2,5-diyl diacetate
CID 243612
Ethylylidene triacetate
CID 76325
1,4-Dioxane-2,3-diol, diacetate
CID 537894
1-Methoxyethyl acetate
CID 537440
Propane-1,1-diol diacetate
CID 538741

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl acetate?
The IUPAC name of 2,2-dimethoxyethyl acetate (CID 15753000) is 2,2-dimethoxyethyl acetate.
What is the SMILES notation for 2,2-dimethoxyethyl acetate?
The canonical SMILES for 2,2-dimethoxyethyl acetate is COC(COC(C)=O)OC.
What is the InChIKey of 2,2-dimethoxyethyl acetate?
The InChIKey is CVFNMMJJZBWXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(7)10-4-6(8-2)9-3/h6H,4H2,1-3H3.
What are the key properties of 2,2-dimethoxyethyl acetate?
2,2-dimethoxyethyl acetate has a molecular weight of 148.16 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl acetate is sourced from PubChem (CID 15753000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).