dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate

C15H24O7 — CID 156579745

IUPACdimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCO.C=C(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C8H12O4.C7H12O3/c1-6(8(10)12-3)4-5-7(9)11-2;1-6(2)7(9)10-5-3-4-8/h1,4-5H2,2-3H3;8H,1,3-5H2,2H3
InChIKeyTZLKDKZZBWCIAR-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.16
Rot. Bonds8

About dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate

dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 156579745) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
PubChem CID156579745
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Namedimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCO.C=C(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C8H12O4.C7H12O3/c1-6(8(10)12-3)4-5-7(9)11-2;1-6(2)7(9)10-5-3-4-8/h1,4-5H2,2-3H3;8H,1,3-5H2,2H3
InChIKeyTZLKDKZZBWCIAR-UHFFFAOYSA-N
XLogP1.16
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 161474315
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
1-O-(3-hydroxypropyl) 4-O-methyl 2,3-dimethylidenebutanedioate
CID 140998471
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
3-hydroxypropyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 86583983
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
dodecyl 2-methylprop-2-enoate;4-hydroxy-2-methylidenebutanoic acid;methyl 2-methylprop-2-enoate
CID 88758994
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate (CID 156579745) is dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCO.C=C(CCC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is TZLKDKZZBWCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4.C7H12O3/c1-6(8(10)12-3)4-5-7(9)11-2;1-6(2)7(9)10-5-3-4-8/h1,4-5H2,2-3H3;8H,1,3-5H2,2H3.
What are the key properties of dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate?
dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methylidenepentanedioate;3-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 156579745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).