[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate

C15H22O7 — CID 139835678

IUPAC[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)COC(=O)OCC(C)COC(=O)C=C
InChIInChI=1S/C15H22O7/c1-5-13(16)19-7-11(3)9-21-15(18)22-10-12(4)8-20-14(17)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyGOVDMCNQOIPXPO-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.87
Rot. Bonds10

About [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate

[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate (PubChem CID 139835678) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
PubChem CID139835678
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(C)COC(=O)OCC(C)COC(=O)C=C
InChIInChI=1S/C15H22O7/c1-5-13(16)19-7-11(3)9-21-15(18)22-10-12(4)8-20-14(17)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyGOVDMCNQOIPXPO-UHFFFAOYSA-N
XLogP1.87
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methyl-3-(3-methylpentan-3-yloxy)propyl] prop-2-enoate
CID 155200525
(2-methyl-3-methylsulfonylpropyl) prop-2-enoate
CID 146585677
(8-amino-2-methyloctyl) prop-2-enoate
CID 150808477
2-methylidene-4-(2-methyl-3-prop-2-enoyloxypropoxy)-4-oxobutanoic acid
CID 88572930
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
4-methyl-2-(2-methyl-3-prop-2-enoyloxypropyl)-5-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)pentanoic acid
CID 175329312
2-(2-methyl-3-prop-2-enoyloxypropyl)butanedioic acid
CID 175164546
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
2,4-dimethylpent-3-enyl prop-2-enoate
CID 174401913
trimethyl(1-prop-2-enoyloxypropan-2-yl)azanium chloride
CID 87502467
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate?
The IUPAC name of [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate (CID 139835678) is [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate is C=CC(=O)OCC(C)COC(=O)OCC(C)COC(=O)C=C.
What is the InChIKey of [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate?
The InChIKey is GOVDMCNQOIPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-5-13(16)19-7-11(3)9-21-15(18)22-10-12(4)8-20-14(17)6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate?
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate has a molecular weight of 314.33 g/mol, XLogP of 1.87, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate is sourced from PubChem (CID 139835678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).