3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

C24H36O8 — CID 22641153

IUPAC3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=C(C)C(=O)OCCCCOC(=O)C(=C)C
InChIInChI=1S/2C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h10H,1,3,6-7H2,2,4-5H3;1,3,5-8H2,2,4H3
InChIKeyKITNICVXWSVQNV-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.01
Rot. Bonds13

About 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (PubChem CID 22641153) has the molecular formula C24H36O8 and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
PubChem CID22641153
Molecular FormulaC24H36O8
Molecular Weight452.54 g/mol
Exact Mass452.24
IUPAC Name3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=C(C)C(=O)OCCCCOC(=O)C(=C)C
InChIInChI=1S/2C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h10H,1,3,6-7H2,2,4-5H3;1,3,5-8H2,2,4H3
InChIKeyKITNICVXWSVQNV-UHFFFAOYSA-N
XLogP4.01
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
3-(2-silyloxyethoxy)butyl 2-methylprop-2-enoate
CID 173268327
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
3-pent-4-enoxybutyl 2-methylprop-2-enoate
CID 141278484
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
propan-2-yl 7-(2-methylprop-2-enoyloxy)heptanoate
CID 58298977

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (CID 22641153) is 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=C(C)C(=O)OCCCCOC(=O)C(=C)C.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The InChIKey is KITNICVXWSVQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18O4/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4/h10H,1,3,6-7H2,2,4-5H3;1,3,5-8H2,2,4H3.
What are the key properties of 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate has a molecular weight of 452.54 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 22641153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).