2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate

C15H22O5 — CID 56992120

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=CCC1CCCO1
InChIInChI=1S/C15H22O5/c1-11(2)14(16)19-9-10-20-15(17)12(3)6-7-13-5-4-8-18-13/h6,13H,1,4-5,7-10H2,2-3H3
InChIKeyGLCKYGSGXSVKAW-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.16
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate

2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate (PubChem CID 56992120) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate
PubChem CID56992120
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=CCC1CCCO1
InChIInChI=1S/C15H22O5/c1-11(2)14(16)19-9-10-20-15(17)12(3)6-7-13-5-4-8-18-13/h6,13H,1,4-5,7-10H2,2-3H3
InChIKeyGLCKYGSGXSVKAW-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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[(6Z,10E,11aR)-3,10-dimethyl-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-6-yl]methyl (Z)-2-methylbut-2-enoate
CID 163000326
Acetic acid, 2-(1,4-dioxaspiro(4.5)dec-8-ylidene)-, ethyl ester
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate (CID 56992120) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate is C=C(C)C(=O)OCCOC(=O)C(C)=CCC1CCCO1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate?
The InChIKey is GLCKYGSGXSVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-11(2)14(16)19-9-10-20-15(17)12(3)6-7-13-5-4-8-18-13/h6,13H,1,4-5,7-10H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-4-(oxolan-2-yl)but-2-enoate is sourced from PubChem (CID 56992120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).