ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate

C15H26O6 — CID 70329302

IUPACethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](C(=O)OCC)[C@@H](OCCCC)C1OC(C)O1
InChIInChI=1S/C15H26O6/c1-5-8-10-19-13(15-20-11(4)21-15)12(18-9-6-2)14(16)17-7-3/h6,11-13,15H,2,5,7-10H2,1,3-4H3/t11?,12-,13-,15?/m1/s1
InChIKeySNYNGVXCUVLKJW-DNCHLWJUSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds11

About ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate

ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate (PubChem CID 70329302) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate
PubChem CID70329302
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Nameethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate
SMILESC=CCO[C@@H](C(=O)OCC)[C@@H](OCCCC)C1OC(C)O1
InChIInChI=1S/C15H26O6/c1-5-8-10-19-13(15-20-11(4)21-15)12(18-9-6-2)14(16)17-7-3/h6,11-13,15H,2,5,7-10H2,1,3-4H3/t11?,12-,13-,15?/m1/s1
InChIKeySNYNGVXCUVLKJW-DNCHLWJUSA-N
XLogP2.02
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate 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

diethyl (2R,3R)-2-hydroxy-3-prop-2-enoxybutanedioate
CID 10562351
diethyl (2R,3R)-2-(2-ethoxy-2-oxoacetyl)oxy-3-prop-2-enoxybutanedioate
CID 132821002
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
ethyl 2-butoxy-3-oxobutanoate
CID 87813852
ethyl 3,3-dibutoxypropanoate
CID 14297450
4-octadecoxy-1,4-dioxo-3-prop-2-enoxy-1-propoxybutane-2-sulfonoperoxoic acid
CID 88512704
butyl 2-butoxy-3-hydroxybutanoate
CID 87978706
diethyl 2-but-3-enoxypropanedioate
CID 88610894
ethyl (2R)-2-tert-butylpent-4-enoate
CID 98010160
4-O-butyl 1-O-ethyl (Z)-but-2-enedioate;methoxyethene
CID 130446765
ethyl 2-but-3-enylheptanoate
CID 141221895

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate?
The IUPAC name of ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate (CID 70329302) is ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate?
The canonical SMILES for ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate is C=CCO[C@@H](C(=O)OCC)[C@@H](OCCCC)C1OC(C)O1.
What is the InChIKey of ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate?
The InChIKey is SNYNGVXCUVLKJW-DNCHLWJUSA-N. The full InChI is InChI=1S/C15H26O6/c1-5-8-10-19-13(15-20-11(4)21-15)12(18-9-6-2)14(16)17-7-3/h6,11-13,15H,2,5,7-10H2,1,3-4H3/t11?,12-,13-,15?/m1/s1.
What are the key properties of ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate?
ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate has a molecular weight of 302.37 g/mol, XLogP of 2.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-butoxy-3-(4-methyl-1,3-dioxetan-2-yl)-2-prop-2-enoxypropanoate is sourced from PubChem (CID 70329302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).