[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate

C15H26O5 — CID 161265353

IUPAC[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CC(C)COCCOC
InChIInChI=1S/C15H26O5/c1-12(2)15(17)20-7-5-6-14(16)10-13(3)11-19-9-8-18-4/h13H,1,5-11H2,2-4H3
InChIKeyVDCKUSXZJAYNIQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.14
Rot. Bonds12

About [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate

[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate (PubChem CID 161265353) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate
PubChem CID161265353
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)CC(C)COCCOC
InChIInChI=1S/C15H26O5/c1-12(2)15(17)20-7-5-6-14(16)10-13(3)11-19-9-8-18-4/h13H,1,5-11H2,2-4H3
InChIKeyVDCKUSXZJAYNIQ-UHFFFAOYSA-N
XLogP2.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.14
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 [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate?
The IUPAC name of [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate (CID 161265353) is [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate.
What is the SMILES notation for [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate?
The canonical SMILES for [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(=O)CC(C)COCCOC.
What is the InChIKey of [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate?
The InChIKey is VDCKUSXZJAYNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-12(2)15(17)20-7-5-6-14(16)10-13(3)11-19-9-8-18-4/h13H,1,5-11H2,2-4H3.
What are the key properties of [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate?
[7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate has a molecular weight of 286.37 g/mol, XLogP of 2.14, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyethoxy)-6-methyl-4-oxoheptyl] 2-methylprop-2-enoate is sourced from PubChem (CID 161265353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).