ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate

C14H20O6 — CID 10934959

IUPACethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate
SMILESCCOC(=O)C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC(OCC)O[C@@H]12
InChIInChI=1S/C14H20O6/c1-3-17-9(15)5-7-11-8-6-10(18-4-2)19-12(8)13(7)20-14(11)16/h7-8,10-13H,3-6H2,1-2H3/t7-,8+,10?,11+,12+,13-/m1/s1
InChIKeyPFXASODSJRKCSI-DNMOFNIHSA-N
MW284.31 g/mol
LogP0.88
Rot. Bonds5

About ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate

ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate (PubChem CID 10934959) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate
PubChem CID10934959
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate
SMILESCCOC(=O)C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC(OCC)O[C@@H]12
InChIInChI=1S/C14H20O6/c1-3-17-9(15)5-7-11-8-6-10(18-4-2)19-12(8)13(7)20-14(11)16/h7-8,10-13H,3-6H2,1-2H3/t7-,8+,10?,11+,12+,13-/m1/s1
InChIKeyPFXASODSJRKCSI-DNMOFNIHSA-N
XLogP0.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate 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

(3aS,6R,6aR)-6a-(1,3-dioxolan-2-ylmethyl)-3,3,6-trimethyl-3a,4,5,6-tetrahydrocyclopenta[c]furan-1-one
CID 56595625
[(1S,1'R,2R,3S,3aS,5R,5'S,6S,6aS)-2-methoxy-3,3a,6,6a-tetramethyl-3'-oxospiro[2,3,4,6-tetrahydro-1H-pentalene-5,4'-2,6-dioxabicyclo[3.1.0]hexane]-1-yl] acetate
CID 135010833
(3aR,4R,5R,6aS)-4-(dimethoxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 135078571
dimethyl (1R,2R,6S,7S,8S,9S)-4-heptyl-3,5-dioxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
CID 139192084
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 10040592
(3aR,4R,5R,6aR)-4,5-bis(methoxymethoxy)-5-methyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11391305
(1S,5R,6R,7R)-6-(3,3-ethylenedioxyoctyl)-7-tetrahydropyranyloxy-2-oxabicyclo[3.3.0]octan-3-one
CID 14674520
(3aR,4R,5R,6aS)-4-(2-methyl-1,3-dioxolan-4-yl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652541
[4-(2-Methyl-1,3-dioxolan-4-yl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 19088813
[4-(1,3-Dioxolan-2-ylmethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 19755850
4-(1,3-Dioxolan-2-yl)-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22085168
(3aR,4S,5R,6aS)-4-(dimethoxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22805157

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate?
The IUPAC name of ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate (CID 10934959) is ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate is CCOC(=O)C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@H]1CC(OCC)O[C@@H]12.
What is the InChIKey of ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate?
The InChIKey is PFXASODSJRKCSI-DNMOFNIHSA-N. The full InChI is InChI=1S/C14H20O6/c1-3-17-9(15)5-7-11-8-6-10(18-4-2)19-12(8)13(7)20-14(11)16/h7-8,10-13H,3-6H2,1-2H3/t7-,8+,10?,11+,12+,13-/m1/s1.
What are the key properties of ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate?
ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate has a molecular weight of 284.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2S,6S,7R,10R)-4-ethoxy-8-oxo-3,9-dioxatricyclo[5.2.1.02,6]decan-10-yl]acetate is sourced from PubChem (CID 10934959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).