ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene

C25H34O8 — CID 161285099

IUPACethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)O.C=CC(=O)OCC.C=Cc1ccccc1
InChIInChI=1S/C8H8.2C5H8O2.C4H6O2.C3H4O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;1-3-5(6)7-4-2;1-3(2)4(5)6;1-2-3(4)5/h2-7H,1H2;1H2,2-3H3;3H,1,4H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyVFPLEMZJTYLGNP-UHFFFAOYSA-N
MW462.54 g/mol
LogP4.70
Rot. Bonds6

About ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene

ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene (PubChem CID 161285099) has the molecular formula C25H34O8 and a molecular weight of 462.54 g/mol. Its IUPAC name is ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene.

Molecular Properties

Compound Nameethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
PubChem CID161285099
Molecular FormulaC25H34O8
Molecular Weight462.54 g/mol
Exact Mass462.23
IUPAC Nameethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)O.C=CC(=O)OCC.C=Cc1ccccc1
InChIInChI=1S/C8H8.2C5H8O2.C4H6O2.C3H4O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;1-3-5(6)7-4-2;1-3(2)4(5)6;1-2-3(4)5/h2-7H,1H2;1H2,2-3H3;3H,1,4H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5)
InChIKeyVFPLEMZJTYLGNP-UHFFFAOYSA-N
XLogP4.70
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene with MolForge

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Launch Full Analysis

Related Compounds

ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
chloromethane;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174378741
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
4-ethenylbenzenesulfonic acid;ethyl prop-2-enoate;2-methylidenebutanedioic acid;methyl 2-methylprop-2-enoate
CID 173026188
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);prop-2-enoic acid;styrene
CID 174785895
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
CID 23364974

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene?
The IUPAC name of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene (CID 161285099) is ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene.
What is the SMILES notation for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene?
The canonical SMILES for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene is C=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)O.C=CC(=O)OCC.C=Cc1ccccc1.
What is the InChIKey of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene?
The InChIKey is VFPLEMZJTYLGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.2C5H8O2.C4H6O2.C3H4O2/c1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3;1-3-5(6)7-4-2;1-3(2)4(5)6;1-2-3(4)5/h2-7H,1H2;1H2,2-3H3;3H,1,4H2,2H3;1H2,2H3,(H,5,6);2H,1H2,(H,4,5).
What are the key properties of ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene?
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene has a molecular weight of 462.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene is sourced from PubChem (CID 161285099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).