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

C19H30O6 — CID 159848071

IUPACbutyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=CC(=O)OCCCC
InChIInChI=1S/C12H18O4.C7H12O2/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-3-5-6-9-7(8)4-2/h10H,1,3,6-7H2,2,4-5H3;4H,2-3,5-6H2,1H3
InChIKeyNPOLSOKVOSCQBE-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.52
Rot. Bonds10

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

butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (PubChem CID 159848071) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
PubChem CID159848071
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Namebutyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=CC(=O)OCCCC
InChIInChI=1S/C12H18O4.C7H12O2/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-3-5-6-9-7(8)4-2/h10H,1,3,6-7H2,2,4-5H3;4H,2-3,5-6H2,1H3
InChIKeyNPOLSOKVOSCQBE-UHFFFAOYSA-N
XLogP3.52
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1,3-Butyleneglycol dimethacrylate
CID 70916
Trimethylolpropane Trimethacrylate
CID 18689
1,3-Butylene glycol diacrylate
CID 29635
Glycerol trimethacrylate
CID 81892
2-Propenoic acid, 2-methyl-, 1,1'-(1,3-propanediyl) ester
CID 70911
2-Propenoic acid, 2-methyl-, 2,2-bis[(2-propen-1-yloxy)methyl]butyl ester
CID 88432
1-Methylbutyl methacrylate
CID 534915
Ethyl 2-methylprop-2-enoate--methyl prop-2-enoate (1/1)
CID 168555
Ethyl 2-methylprop-2-enoate--ethyl prop-2-enoate (1/1)
CID 6453333
2-(2-Methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 44145096
Ethyl acrylate methyl methacrylate
CID 62704
Butyl 2-methylprop-2-enoate--methyl 2-methylprop-2-enoate (1/1)
CID 62798

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (CID 159848071) is butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C.C=CC(=O)OCCCC.
What is the InChIKey of butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The InChIKey is NPOLSOKVOSCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4.C7H12O2/c1-8(2)11(13)15-7-6-10(5)16-12(14)9(3)4;1-3-5-6-9-7(8)4-2/h10H,1,3,6-7H2,2,4-5H3;4H,2-3,5-6H2,1H3.
What are the key properties of butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate has a molecular weight of 354.44 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 159848071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).