dimethoxymethyl 2-methylprop-2-enoate

C7H12O4 — CID 23110377

IUPACdimethoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC)OC
InChIInChI=1S/C7H12O4/c1-5(2)6(8)11-7(9-3)10-4/h7H,1H2,2-4H3
InChIKeyUNBHHUABELZUGO-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.68
Rot. Bonds4

About dimethoxymethyl 2-methylprop-2-enoate

dimethoxymethyl 2-methylprop-2-enoate (PubChem CID 23110377) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is dimethoxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedimethoxymethyl 2-methylprop-2-enoate
PubChem CID23110377
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namedimethoxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(OC)OC
InChIInChI=1S/C7H12O4/c1-5(2)6(8)11-7(9-3)10-4/h7H,1H2,2-4H3
InChIKeyUNBHHUABELZUGO-UHFFFAOYSA-N
XLogP0.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-phosphanylpropyl 2-methylprop-2-enoate
CID 155643080
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
[cyano(methoxy)methyl] 2-methylprop-2-enoate
CID 139981516
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrobromide
CID 19073826
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368

Frequently Asked Questions

What is the IUPAC name of dimethoxymethyl 2-methylprop-2-enoate?
The IUPAC name of dimethoxymethyl 2-methylprop-2-enoate (CID 23110377) is dimethoxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for dimethoxymethyl 2-methylprop-2-enoate?
The canonical SMILES for dimethoxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(OC)OC.
What is the InChIKey of dimethoxymethyl 2-methylprop-2-enoate?
The InChIKey is UNBHHUABELZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(2)6(8)11-7(9-3)10-4/h7H,1H2,2-4H3.
What are the key properties of dimethoxymethyl 2-methylprop-2-enoate?
dimethoxymethyl 2-methylprop-2-enoate has a molecular weight of 160.17 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23110377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).