propan-2-yl (E)-2-methylbut-2-enoate

C8H14O2 — CID 5367745

IUPACpropan-2-yl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC(C)C
InChIInChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
InChIKeyVUPBIVVRPJDWNW-FNORWQNLSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds2

About propan-2-yl (E)-2-methylbut-2-enoate

propan-2-yl (E)-2-methylbut-2-enoate (PubChem CID 5367745) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is propan-2-yl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-2-methylbut-2-enoate
PubChem CID5367745
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namepropan-2-yl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OC(C)C
InChIInChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
InChIKeyVUPBIVVRPJDWNW-FNORWQNLSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-2-methylbut-2-enoate?
The IUPAC name of propan-2-yl (E)-2-methylbut-2-enoate (CID 5367745) is propan-2-yl (E)-2-methylbut-2-enoate.
What is the SMILES notation for propan-2-yl (E)-2-methylbut-2-enoate?
The canonical SMILES for propan-2-yl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (E)-2-methylbut-2-enoate?
The InChIKey is VUPBIVVRPJDWNW-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+.
What are the key properties of propan-2-yl (E)-2-methylbut-2-enoate?
propan-2-yl (E)-2-methylbut-2-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 5367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).