2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate

C14H24O4 — CID 10858095

IUPAC2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate
SMILESC=C[C@@H](CCC)[C@@H](CC)C(=O)C(=O)OCCOC
InChIInChI=1S/C14H24O4/c1-5-8-11(6-2)12(7-3)13(15)14(16)18-10-9-17-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1
InChIKeyCZHHWHAYHBSDRH-NWDGAFQWSA-N
MW256.34 g/mol
LogP2.37
Rot. Bonds10

About 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate

2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate (PubChem CID 10858095) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate.

Molecular Properties

Compound Name2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate
PubChem CID10858095
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate
SMILESC=C[C@@H](CCC)[C@@H](CC)C(=O)C(=O)OCCOC
InChIInChI=1S/C14H24O4/c1-5-8-11(6-2)12(7-3)13(15)14(16)18-10-9-17-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1
InChIKeyCZHHWHAYHBSDRH-NWDGAFQWSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate?
The IUPAC name of 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate (CID 10858095) is 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate.
What is the SMILES notation for 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate?
The canonical SMILES for 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate is C=C[C@@H](CCC)[C@@H](CC)C(=O)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate?
The InChIKey is CZHHWHAYHBSDRH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-8-11(6-2)12(7-3)13(15)14(16)18-10-9-17-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1.
What are the key properties of 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate?
2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate has a molecular weight of 256.34 g/mol, XLogP of 2.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (3R,4R)-4-ethenyl-3-ethyl-2-oxoheptanoate is sourced from PubChem (CID 10858095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).