methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate

C24H34O4 — CID 88695550

IUPACmethyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate
SMILESC=C(C)C(=O)OC.C=C(C=Cc1ccccc1)C(=O)OC(CC)CCCCC
InChIInChI=1S/C19H26O2.C5H8O2/c1-4-6-8-13-18(5-2)21-19(20)16(3)14-15-17-11-9-7-10-12-17;1-4(2)5(6)7-3/h7,9-12,14-15,18H,3-6,8,13H2,1-2H3;1H2,2-3H3
InChIKeyYGRQWXGSBSEHOO-UHFFFAOYSA-N
MW386.53 g/mol
LogP5.89
Rot. Bonds10

About methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate

methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate (PubChem CID 88695550) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate
PubChem CID88695550
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Namemethyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate
SMILESC=C(C)C(=O)OC.C=C(C=Cc1ccccc1)C(=O)OC(CC)CCCCC
InChIInChI=1S/C19H26O2.C5H8O2/c1-4-6-8-13-18(5-2)21-19(20)16(3)14-15-17-11-9-7-10-12-17;1-4(2)5(6)7-3/h7,9-12,14-15,18H,3-6,8,13H2,1-2H3;1H2,2-3H3
InChIKeyYGRQWXGSBSEHOO-UHFFFAOYSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate with MolForge

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Related Compounds

methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
octan-3-yl 2-methyl-3-phenylprop-2-enoate
CID 141377253
octan-3-yl 3-phenylprop-2-eneperoxoate
CID 175064819
2,9-dimethyl-3-(2-methylidene-4-phenylbut-3-enoyl)oxydec-2-enoic acid;methyl 2-methylprop-2-enoate
CID 175366082
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;octan-3-yl prop-2-enoate
CID 88744319
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
butyl 2-methylidene-4-phenylbut-3-enoate;4-ethoxycarbonyl-2-methylpenta-2,4-dienoic acid;methyl 2-methylprop-2-enoate
CID 87773921
butan-2-yl 2-methylidene-4-phenylbut-3-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88689251
butyl 2-methylidene-4-phenylbut-3-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 88665483
hexane-1,1-diol;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 22743729
8-phenoxyoctan-3-yl 2-methylprop-2-enoate
CID 175400272
octan-3-yl 2-(2-phenylethenoxy)propanoate
CID 167438036

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate?
The IUPAC name of methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate (CID 88695550) is methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate?
The canonical SMILES for methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate is C=C(C)C(=O)OC.C=C(C=Cc1ccccc1)C(=O)OC(CC)CCCCC.
What is the InChIKey of methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate?
The InChIKey is YGRQWXGSBSEHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2.C5H8O2/c1-4-6-8-13-18(5-2)21-19(20)16(3)14-15-17-11-9-7-10-12-17;1-4(2)5(6)7-3/h7,9-12,14-15,18H,3-6,8,13H2,1-2H3;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate?
methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate has a molecular weight of 386.53 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;octan-3-yl 2-methylidene-4-phenylbut-3-enoate is sourced from PubChem (CID 88695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).