prop-2-enyl (Z)-2-methylbut-2-enoate

C8H12O2 — CID 6048481

IUPACprop-2-enyl (Z)-2-methylbut-2-enoate
SMILESC=CCOC(=O)/C(C)=C\C
InChIInChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-
InChIKeyODOZNBUSHKFCSH-ALCCZGGFSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds3

About prop-2-enyl (Z)-2-methylbut-2-enoate

prop-2-enyl (Z)-2-methylbut-2-enoate (PubChem CID 6048481) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is prop-2-enyl (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-2-methylbut-2-enoate
PubChem CID6048481
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameprop-2-enyl (Z)-2-methylbut-2-enoate
SMILESC=CCOC(=O)/C(C)=C\C
InChIInChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-
InChIKeyODOZNBUSHKFCSH-ALCCZGGFSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-2-methylbut-2-enoate?
The IUPAC name of prop-2-enyl (Z)-2-methylbut-2-enoate (CID 6048481) is prop-2-enyl (Z)-2-methylbut-2-enoate.
What is the SMILES notation for prop-2-enyl (Z)-2-methylbut-2-enoate?
The canonical SMILES for prop-2-enyl (Z)-2-methylbut-2-enoate is C=CCOC(=O)/C(C)=C\C.
What is the InChIKey of prop-2-enyl (Z)-2-methylbut-2-enoate?
The InChIKey is ODOZNBUSHKFCSH-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-.
What are the key properties of prop-2-enyl (Z)-2-methylbut-2-enoate?
prop-2-enyl (Z)-2-methylbut-2-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 6048481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).