butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid

C75H130O21 — CID 159327689

IUPACbutyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCCCCCCCC.C=CC(=O)O.C=CC(=O)OC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC.C=CC(=O)OCCO
InChIInChI=1S/C16H30O2.C12H22O2.C11H20O2.C8H14O2.C7H12O2.C5H8O3.C5H8O2.2C4H6O2.C3H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-4-7-8-10(5-2)9-13-11(12)6-3;1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6;1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;1-2-3(4)5/h2,4-14H2,1,3H3;11H,3,5-9H2,1-2,4H3;6,10H,3-5,7-9H2,1-2H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;2,6H,1,3-4H2;1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyLEOMIMAJQYKUTI-UHFFFAOYSA-N
MW1367.84 g/mol
LogP16.40
Rot. Bonds41

About butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid (PubChem CID 159327689) has the molecular formula C75H130O21 and a molecular weight of 1367.84 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
PubChem CID159327689
Molecular FormulaC75H130O21
Molecular Weight1367.84 g/mol
Exact Mass1366.91
IUPAC Namebutyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCCCCCCCC.C=CC(=O)O.C=CC(=O)OC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC.C=CC(=O)OCCO
InChIInChI=1S/C16H30O2.C12H22O2.C11H20O2.C8H14O2.C7H12O2.C5H8O3.C5H8O2.2C4H6O2.C3H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-4-7-8-10(5-2)9-13-11(12)6-3;1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6;1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;1-2-3(4)5/h2,4-14H2,1,3H3;11H,3,5-9H2,1-2,4H3;6,10H,3-5,7-9H2,1-2H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;2,6H,1,3-4H2;1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyLEOMIMAJQYKUTI-UHFFFAOYSA-N
XLogP16.40
TPSA305.23 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds41
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.84
LogP ≤ 516.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

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'}

Analyze butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

dodecyl 2-methylprop-2-enoate;ethane;2-ethylhexyl 2-methylprop-2-enoate;4-hydroxybutyl prop-2-enoate;bis(2-hydroxyethyl prop-2-enoate)
CID 167596722
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
butyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 158814067
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
butyl 2-methylprop-2-enoate;2-ethylbutyl prop-2-enoate
CID 88771560
dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;8-methylnonyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;2-methylpropyl 2-methylprop-2-enoate
CID 174792834
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid?
The IUPAC name of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid (CID 159327689) is butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid.
What is the SMILES notation for butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid?
The canonical SMILES for butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OC.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCCCCCCCC.C=CC(=O)O.C=CC(=O)OC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCCCC.C=CC(=O)OCCO.
What is the InChIKey of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid?
The InChIKey is LEOMIMAJQYKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C12H22O2.C11H20O2.C8H14O2.C7H12O2.C5H8O3.C5H8O2.2C4H6O2.C3H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-4-7-8-10(5-2)9-13-11(12)6-3;1-4-5-6-10-8(9)7(2)3;1-3-5-6-9-7(8)4-2;1-2-5(7)8-4-3-6;1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;1-2-3(4)5/h2,4-14H2,1,3H3;11H,3,5-9H2,1-2,4H3;6,10H,3-5,7-9H2,1-2H3;2,4-6H2,1,3H3;4H,2-3,5-6H2,1H3;2,6H,1,3-4H2;1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5).
What are the key properties of butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid?
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid has a molecular weight of 1367.84 g/mol, XLogP of 16.40, 41 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;butyl prop-2-enoate;dodecyl 2-methylprop-2-enoate;2-ethylhexyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;2-hydroxyethyl prop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid is sourced from PubChem (CID 159327689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).