2-methylprop-1-enyl 2-methylprop-2-enoate

C8H12O2 — CID 3047927

IUPAC2-methylprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C(C)C
InChIInChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h5H,3H2,1-2,4H3
InChIKeyUBQPQJQGZDSHEX-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.03
Rot. Bonds2

About 2-methylprop-1-enyl 2-methylprop-2-enoate

2-methylprop-1-enyl 2-methylprop-2-enoate (PubChem CID 3047927) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methylprop-1-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-1-enyl 2-methylprop-2-enoate
PubChem CID3047927
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methylprop-1-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C(C)C
InChIInChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h5H,3H2,1-2,4H3
InChIKeyUBQPQJQGZDSHEX-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-1-enyl 2-methylprop-2-enoate (CID 3047927) is 2-methylprop-1-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-1-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-1-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=C(C)C.
What is the InChIKey of 2-methylprop-1-enyl 2-methylprop-2-enoate?
The InChIKey is UBQPQJQGZDSHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h5H,3H2,1-2,4H3.
What are the key properties of 2-methylprop-1-enyl 2-methylprop-2-enoate?
2-methylprop-1-enyl 2-methylprop-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 3047927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).