prop-2-enyl 2-methylprop-2-enoate

C7H10O2 — CID 7274

IUPACprop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C
InChIInChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
InChIKeyFBCQUCJYYPMKRO-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.29
Rot. Bonds3

About prop-2-enyl 2-methylprop-2-enoate

prop-2-enyl 2-methylprop-2-enoate (PubChem CID 7274) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methylprop-2-enoate
PubChem CID7274
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Nameprop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C
InChIInChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
InChIKeyFBCQUCJYYPMKRO-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylene glycol dimethacrylate
CID 7355
Methyl Methacrylate
CID 6658
Butyl Acrylate
CID 8846
Ethyl Methacrylate
CID 7343
Ethyl Acrylate
CID 8821
Isobutyl Methacrylate
CID 7352
Butyl Methacrylate
CID 7354
Isobutyl acrylate
CID 7819
n-Propyl methacrylate
CID 16638
Allyl acetate
CID 11584
Isopropyl methacrylate
CID 20769
Allyl propionate
CID 61319

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of prop-2-enyl 2-methylprop-2-enoate (CID 7274) is prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for prop-2-enyl 2-methylprop-2-enoate is C=CCOC(=O)C(=C)C.
What is the InChIKey of prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is FBCQUCJYYPMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3.
What are the key properties of prop-2-enyl 2-methylprop-2-enoate?
prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 126.15 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 7274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).