2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate

C12H20O5 — CID 14834697

IUPAC2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCC(OC)O1
InChIInChI=1S/C12H20O5/c1-9(2)12(13)16-8-7-15-11-6-4-5-10(14-3)17-11/h10-11H,1,4-8H2,2-3H3
InChIKeyMXFKDNQYBIAUBT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds6

About 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate

2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate (PubChem CID 14834697) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate
PubChem CID14834697
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC1CCCC(OC)O1
InChIInChI=1S/C12H20O5/c1-9(2)12(13)16-8-7-15-11-6-4-5-10(14-3)17-11/h10-11H,1,4-8H2,2-3H3
InChIKeyMXFKDNQYBIAUBT-UHFFFAOYSA-N
XLogP1.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate (CID 14834697) is 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC1CCCC(OC)O1.
What is the InChIKey of 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate?
The InChIKey is MXFKDNQYBIAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-9(2)12(13)16-8-7-15-11-6-4-5-10(14-3)17-11/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate?
2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyoxan-2-yl)oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 14834697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).