2,3,3-trimethoxypropyl 2-methylprop-2-enoate

C10H18O5 — CID 123499997

IUPAC2,3,3-trimethoxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)C(OC)OC
InChIInChI=1S/C10H18O5/c1-7(2)9(11)15-6-8(12-3)10(13-4)14-5/h8,10H,1,6H2,2-5H3
InChIKeyWHJVGTZGPNYKFO-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.74
Rot. Bonds7

About 2,3,3-trimethoxypropyl 2-methylprop-2-enoate

2,3,3-trimethoxypropyl 2-methylprop-2-enoate (PubChem CID 123499997) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2,3,3-trimethoxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3,3-trimethoxypropyl 2-methylprop-2-enoate
PubChem CID123499997
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2,3,3-trimethoxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(OC)C(OC)OC
InChIInChI=1S/C10H18O5/c1-7(2)9(11)15-6-8(12-3)10(13-4)14-5/h8,10H,1,6H2,2-5H3
InChIKeyWHJVGTZGPNYKFO-UHFFFAOYSA-N
XLogP0.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
ethyl 2-methylprop-2-enoate
CID 130475774
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 87169157
2,2-bis(hydroxymethyl)propane-1,3-diol;[(2R,3S)-2,3,4-tris(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 88603957
2-methoxy-1-[2-methylidene-4-(2-methylprop-2-enoyloxy)butanoyl]oxypentane-3-sulfonic acid
CID 175520936
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethoxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2,3,3-trimethoxypropyl 2-methylprop-2-enoate (CID 123499997) is 2,3,3-trimethoxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3,3-trimethoxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3,3-trimethoxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(OC)C(OC)OC.
What is the InChIKey of 2,3,3-trimethoxypropyl 2-methylprop-2-enoate?
The InChIKey is WHJVGTZGPNYKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(2)9(11)15-6-8(12-3)10(13-4)14-5/h8,10H,1,6H2,2-5H3.
What are the key properties of 2,3,3-trimethoxypropyl 2-methylprop-2-enoate?
2,3,3-trimethoxypropyl 2-methylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethoxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 123499997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).