ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate

C11H18O5 — CID 91567590

IUPACethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate
SMILESC=CC(=O)CC[C@@H](OCOC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-4-9(12)6-7-10(16-8-14-3)11(13)15-5-2/h4,10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyNFHDCAACTKHZOW-SNVBAGLBSA-N
MW230.26 g/mol
LogP1.07
Rot. Bonds9

About ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate

ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate (PubChem CID 91567590) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate.

Molecular Properties

Compound Nameethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate
PubChem CID91567590
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nameethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate
SMILESC=CC(=O)CC[C@@H](OCOC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-4-9(12)6-7-10(16-8-14-3)11(13)15-5-2/h4,10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyNFHDCAACTKHZOW-SNVBAGLBSA-N
XLogP1.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-(methoxymethoxy)-5-oxohept-6-enoate
CID 9813368
ethyl (3R)-3-(2-methoxyethoxymethoxy)-5-oxohept-6-enoate
CID 9878652
1-Ethoxyethyl 5-oxohept-6-enoate
CID 20611903
Ethyl 3-(methoxymethoxy)-5-oxohept-6-enoate
CID 85044430
Ethyl 3-(2-methoxyethoxymethoxy)-5-oxohept-6-enoate
CID 85059036
ethyl (2R)-2-(2-methoxyethoxymethoxy)-5-oxohept-6-enoate
CID 90776916
ethyl (2R)-2-acetyloxy-5-oxohept-6-enoate
CID 91226488
Ethyl 2-ethoxy-5-oxohept-6-enoate
CID 141070986

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate?
The IUPAC name of ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate (CID 91567590) is ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate.
What is the SMILES notation for ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate?
The canonical SMILES for ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate is C=CC(=O)CC[C@@H](OCOC)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate?
The InChIKey is NFHDCAACTKHZOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-9(12)6-7-10(16-8-14-3)11(13)15-5-2/h4,10H,1,5-8H2,2-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate?
ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate has a molecular weight of 230.26 g/mol, XLogP of 1.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(methoxymethoxy)-5-oxohept-6-enoate is sourced from PubChem (CID 91567590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).