propan-2-yl prop-2-enoate;propyl prop-2-enoate

C12H20O4 — CID 19001097

IUPACpropan-2-yl prop-2-enoate;propyl prop-2-enoate
SMILESC=CC(=O)OC(C)C.C=CC(=O)OCCC
InChIInChI=1S/2C6H10O2/c1-4-6(7)8-5(2)3;1-3-5-8-6(7)4-2/h4-5H,1H2,2-3H3;4H,2-3,5H2,1H3
InChIKeyWZKGNCGJIROWCN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.25
Rot. Bonds5

About propan-2-yl prop-2-enoate;propyl prop-2-enoate

propan-2-yl prop-2-enoate;propyl prop-2-enoate (PubChem CID 19001097) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is propan-2-yl prop-2-enoate;propyl prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl prop-2-enoate;propyl prop-2-enoate
PubChem CID19001097
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namepropan-2-yl prop-2-enoate;propyl prop-2-enoate
SMILESC=CC(=O)OC(C)C.C=CC(=O)OCCC
InChIInChI=1S/2C6H10O2/c1-4-6(7)8-5(2)3;1-3-5-8-6(7)4-2/h4-5H,1H2,2-3H3;4H,2-3,5H2,1H3
InChIKeyWZKGNCGJIROWCN-UHFFFAOYSA-N
XLogP2.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl prop-2-enoate;propyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
(3-methyl-3-prop-2-enoyloxybutan-2-yl) prop-2-enoate;propyl prop-2-enoate
CID 159133201
carbamic acid;propyl prop-2-enoate
CID 87571569
ethenoxyethene;propyl prop-2-enoate
CID 174744389
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
(4-hydroxy-3-methyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19429006
dimethoxy(propyl)silane;propyl prop-2-enoate
CID 174852514
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559

Frequently Asked Questions

What is the IUPAC name of propan-2-yl prop-2-enoate;propyl prop-2-enoate?
The IUPAC name of propan-2-yl prop-2-enoate;propyl prop-2-enoate (CID 19001097) is propan-2-yl prop-2-enoate;propyl prop-2-enoate.
What is the SMILES notation for propan-2-yl prop-2-enoate;propyl prop-2-enoate?
The canonical SMILES for propan-2-yl prop-2-enoate;propyl prop-2-enoate is C=CC(=O)OC(C)C.C=CC(=O)OCCC.
What is the InChIKey of propan-2-yl prop-2-enoate;propyl prop-2-enoate?
The InChIKey is WZKGNCGJIROWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O2/c1-4-6(7)8-5(2)3;1-3-5-8-6(7)4-2/h4-5H,1H2,2-3H3;4H,2-3,5H2,1H3.
What are the key properties of propan-2-yl prop-2-enoate;propyl prop-2-enoate?
propan-2-yl prop-2-enoate;propyl prop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl prop-2-enoate;propyl prop-2-enoate is sourced from PubChem (CID 19001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).