propyl 4-(2-methylprop-2-enoyloxy)butanoate

C11H18O4 — CID 157240660

IUPACpropyl 4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OCCCC(=O)OCCC
InChIInChI=1S/C11H18O4/c1-4-7-14-10(12)6-5-8-15-11(13)9(2)3/h2,4-8H2,1,3H3
InChIKeyIYCNBHPTAOZCIR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds7

About propyl 4-(2-methylprop-2-enoyloxy)butanoate

propyl 4-(2-methylprop-2-enoyloxy)butanoate (PubChem CID 157240660) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is propyl 4-(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Namepropyl 4-(2-methylprop-2-enoyloxy)butanoate
PubChem CID157240660
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namepropyl 4-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OCCCC(=O)OCCC
InChIInChI=1S/C11H18O4/c1-4-7-14-10(12)6-5-8-15-11(13)9(2)3/h2,4-8H2,1,3H3
InChIKeyIYCNBHPTAOZCIR-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl docosanoate
CID 135130314
azane;propyl 2-methylprop-2-enoate
CID 172812841
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
6-[8-(2-methylprop-2-enoyloxy)octoxy]-6-oxohexanoic acid
CID 155658741
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
butyl 2-methylprop-2-enoate;ethene
CID 158758814
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
butyl 2-methylprop-2-enoate;ethoxysilane;propyl 2-methylprop-2-enoate
CID 175326271
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of propyl 4-(2-methylprop-2-enoyloxy)butanoate (CID 157240660) is propyl 4-(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for propyl 4-(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for propyl 4-(2-methylprop-2-enoyloxy)butanoate is C=C(C)C(=O)OCCCC(=O)OCCC.
What is the InChIKey of propyl 4-(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is IYCNBHPTAOZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-7-14-10(12)6-5-8-15-11(13)9(2)3/h2,4-8H2,1,3H3.
What are the key properties of propyl 4-(2-methylprop-2-enoyloxy)butanoate?
propyl 4-(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 157240660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).