8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate

C25H40O6Si — CID 46900161

IUPAC8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate
SMILESC=CCOC(=O)C1=C[C@@]2(C(=O)OCC)O[C@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C25H40O6Si/c1-8-15-29-22(26)19-16-25(23(27)28-9-2)21(30-32(10-3,11-4)12-5)20-17(6)13-14-18(20)24(19,7)31-25/h8,16-18,20-21H,1,9-15H2,2-7H3/t17-,18-,20-,21-,24-,25-/m1/s1
InChIKeyVXVLBOFQTVEKKE-UDLQGNBSSA-N
MW464.68 g/mol
LogP4.80
Rot. Bonds10

About 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate

8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate (PubChem CID 46900161) has the molecular formula C25H40O6Si and a molecular weight of 464.68 g/mol. Its IUPAC name is 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate.

Molecular Properties

Compound Name8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate
PubChem CID46900161
Molecular FormulaC25H40O6Si
Molecular Weight464.68 g/mol
Exact Mass464.26
IUPAC Name8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate
SMILESC=CCOC(=O)C1=C[C@@]2(C(=O)OCC)O[C@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C25H40O6Si/c1-8-15-29-22(26)19-16-25(23(27)28-9-2)21(30-32(10-3,11-4)12-5)20-17(6)13-14-18(20)24(19,7)31-25/h8,16-18,20-21H,1,9-15H2,2-7H3/t17-,18-,20-,21-,24-,25-/m1/s1
InChIKeyVXVLBOFQTVEKKE-UDLQGNBSSA-N
XLogP4.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate with MolForge

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Related Compounds

8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,8R)-1,5-dimethyl-7-oxo-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate
CID 46900160
(1R,2R,5R,6R,7R,8R)-8-ethoxycarbonyl-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-10-carboxylic acid
CID 139255190
ethyl (1R,2R,5R,6R,7R,8R)-10-carbonazidoyl-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8-carboxylate
CID 46900162
7-O-ethyl 1-O-methyl (1S,2S,5R,8R)-5-[tert-butyl(dimethyl)silyl]oxy-11-oxatricyclo[6.2.1.02,6]undeca-6,9-diene-1,7-dicarboxylate
CID 132838442

Frequently Asked Questions

What is the IUPAC name of 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate?
The IUPAC name of 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate (CID 46900161) is 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate.
What is the SMILES notation for 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate?
The canonical SMILES for 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate is C=CCOC(=O)C1=C[C@@]2(C(=O)OCC)O[C@]1(C)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2O[Si](CC)(CC)CC.
What is the InChIKey of 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate?
The InChIKey is VXVLBOFQTVEKKE-UDLQGNBSSA-N. The full InChI is InChI=1S/C25H40O6Si/c1-8-15-29-22(26)19-16-25(23(27)28-9-2)21(30-32(10-3,11-4)12-5)20-17(6)13-14-18(20)24(19,7)31-25/h8,16-18,20-21H,1,9-15H2,2-7H3/t17-,18-,20-,21-,24-,25-/m1/s1.
What are the key properties of 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate?
8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate has a molecular weight of 464.68 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-ethyl 10-O-prop-2-enyl (1R,2R,5R,6R,7R,8R)-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-9-ene-8,10-dicarboxylate is sourced from PubChem (CID 46900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).