propan-2-yl prop-2-enoate

C6H10O2 — CID 12716

IUPACpropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C
InChIInChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InChIKeyLYBIZMNPXTXVMV-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds2

About propan-2-yl prop-2-enoate

propan-2-yl prop-2-enoate (PubChem CID 12716) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is propan-2-yl prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl prop-2-enoate
PubChem CID12716
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namepropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)C
InChIInChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InChIKeyLYBIZMNPXTXVMV-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
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 prop-2-enoate?
The IUPAC name of propan-2-yl prop-2-enoate (CID 12716) is propan-2-yl prop-2-enoate.
What is the SMILES notation for propan-2-yl prop-2-enoate?
The canonical SMILES for propan-2-yl prop-2-enoate is C=CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl prop-2-enoate?
The InChIKey is LYBIZMNPXTXVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3.
What are the key properties of propan-2-yl prop-2-enoate?
propan-2-yl prop-2-enoate has a molecular weight of 114.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl prop-2-enoate is sourced from PubChem (CID 12716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).