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

C54H98O10 — CID 174792834

IUPACdodecyl 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
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCCCCCC(C)C.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C14H26O2.C12H22O2.C8H14O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-6(2)5-10-8(9)7(3)4;1-3(2)4(5)6/h2,4-14H2,1,3H3;12H,3,5-11H2,1-2,4H3;11H,3,5-9H2,1-2,4H3;6H,3,5H2,1-2,4H3;1H2,2H3,(H,5,6)
InChIKeyKUOJKYCPOYOUHA-UHFFFAOYSA-N
MW907.37 g/mol
LogP14.86
Rot. Bonds32

About 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

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 (PubChem CID 174792834) has the molecular formula C54H98O10 and a molecular weight of 907.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedodecyl 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
PubChem CID174792834
Molecular FormulaC54H98O10
Molecular Weight907.37 g/mol
Exact Mass906.72
IUPAC Namedodecyl 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
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCCCCCC(C)C.C=C(C)C(=O)OCCCCCCCCCCCC
InChIInChI=1S/C16H30O2.C14H26O2.C12H22O2.C8H14O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-6(2)5-10-8(9)7(3)4;1-3(2)4(5)6/h2,4-14H2,1,3H3;12H,3,5-11H2,1-2,4H3;11H,3,5-9H2,1-2,4H3;6H,3,5H2,1-2,4H3;1H2,2H3,(H,5,6)
InChIKeyKUOJKYCPOYOUHA-UHFFFAOYSA-N
XLogP14.86
TPSA142.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.37
LogP ≤ 514.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 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 with MolForge

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Related Compounds

5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
[12-methyl-2-(8-methylnonyl)tridecyl] 2-methylprop-2-enoate
CID 140900809
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
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
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)C(=O)O.C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCC(CC)CCCC.C=C(C)C(=O)OCCCCCCCC(C)C.C=C(C)C(=O)OCCCCCCCCCCCC.
What is the InChIKey of 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?
The InChIKey is KUOJKYCPOYOUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C14H26O2.C12H22O2.C8H14O2.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4;1-5-7-8-11(6-2)9-14-12(13)10(3)4;1-6(2)5-10-8(9)7(3)4;1-3(2)4(5)6/h2,4-14H2,1,3H3;12H,3,5-11H2,1-2,4H3;11H,3,5-9H2,1-2,4H3;6H,3,5H2,1-2,4H3;1H2,2H3,(H,5,6).
What are the key properties of 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?
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 has a molecular weight of 907.37 g/mol, XLogP of 14.86, 32 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174792834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).