5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid

C12H20O5 — CID 57152180

IUPAC5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid
SMILESCOC1CCCC(OCCC=C(C)C(=O)O)O1
InChIInChI=1S/C12H20O5/c1-9(12(13)14)5-4-8-16-11-7-3-6-10(15-2)17-11/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeySLHIYKRFHGENHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds6

About 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid

5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid (PubChem CID 57152180) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid
PubChem CID57152180
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid
SMILESCOC1CCCC(OCCC=C(C)C(=O)O)O1
InChIInChI=1S/C12H20O5/c1-9(12(13)14)5-4-8-16-11-7-3-6-10(15-2)17-11/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeySLHIYKRFHGENHQ-UHFFFAOYSA-N
XLogP1.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid?
The IUPAC name of 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid (CID 57152180) is 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid is COC1CCCC(OCCC=C(C)C(=O)O)O1.
What is the InChIKey of 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid?
The InChIKey is SLHIYKRFHGENHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-9(12(13)14)5-4-8-16-11-7-3-6-10(15-2)17-11/h5,10-11H,3-4,6-8H2,1-2H3,(H,13,14).
What are the key properties of 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid?
5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyoxan-2-yl)oxy-2-methylpent-2-enoic acid is sourced from PubChem (CID 57152180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).