methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate

C18H22O4 — CID 66766714

IUPACmethyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CC=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C13H14O2.C5H8O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12;1-4(2)5(6)7-3/h3-6,8-10H,1,7H2,2H3;1H2,2-3H3
InChIKeyFXYQXMJJRZBHCN-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.55
Rot. Bonds5

About methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate

methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate (PubChem CID 66766714) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
PubChem CID66766714
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Namemethyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CC=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C13H14O2.C5H8O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12;1-4(2)5(6)7-3/h3-6,8-10H,1,7H2,2H3;1H2,2-3H3
InChIKeyFXYQXMJJRZBHCN-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(4-hydroxyphenyl)-2-methylidenepent-4-enoate
CID 139700678
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
hexyl 2-methylidenebutanoate;methyl 2-methylidene-5-phenylpent-4-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87766071
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
2-methylbut-2-enoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 70152927
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
(E)-2-methylidene-5-phenylpent-4-enoate
CID 22242504
methyl 2-methylprop-2-enoate;3-(2-phenylethenyl)hexa-1,3,5-trienylbenzene
CID 88501534
octadecyl 2-methylidene-5-phenylpent-4-enoate
CID 70031046
2-methylidene-5-phenylpent-4-enoic acid;prop-2-enoyl chloride
CID 88777701

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate (CID 66766714) is methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(CC=Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is FXYQXMJJRZBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C5H8O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12;1-4(2)5(6)7-3/h3-6,8-10H,1,7H2,2H3;1H2,2-3H3.
What are the key properties of methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate?
methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 302.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-5-phenylpent-4-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 66766714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).