1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate

C14H22O5 — CID 54031412

IUPAC1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)COCC(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-9(2)13(15)18-11(5)7-17-8-12(6)19-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
InChIKeyLFWAPQDBXURQHB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.02
Rot. Bonds8

About 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate

1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate (PubChem CID 54031412) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate
PubChem CID54031412
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)COCC(C)OC(=O)C(=C)C
InChIInChI=1S/C14H22O5/c1-9(2)13(15)18-11(5)7-17-8-12(6)19-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3
InChIKeyLFWAPQDBXURQHB-UHFFFAOYSA-N
XLogP2.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate (CID 54031412) is 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)COCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate?
The InChIKey is LFWAPQDBXURQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-9(2)13(15)18-11(5)7-17-8-12(6)19-14(16)10(3)4/h11-12H,1,3,7-8H2,2,4-6H3.
What are the key properties of 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate?
1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 270.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoyloxy)propoxy]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 54031412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).