[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate

C16H26O7 — CID 44573135

IUPAC[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate
SMILESCCC(=O)O[C@H]1[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C16H26O7/c1-7-8(17)19-10-9(18-6)11-13(22-15(2,3)20-11)14-12(10)21-16(4,5)23-14/h9-14H,7H2,1-6H3/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKeyQJDWMEHBLUXXHU-PRSXHHODSA-N
MW330.38 g/mol
LogP1.38
Rot. Bonds3

About [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate

[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate (PubChem CID 44573135) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate.

Molecular Properties

Compound Name[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate
PubChem CID44573135
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate
SMILESCCC(=O)O[C@H]1[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C16H26O7/c1-7-8(17)19-10-9(18-6)11-13(22-15(2,3)20-11)14-12(10)21-16(4,5)23-14/h9-14H,7H2,1-6H3/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKeyQJDWMEHBLUXXHU-PRSXHHODSA-N
XLogP1.38
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate?
The IUPAC name of [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate (CID 44573135) is [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate.
What is the SMILES notation for [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate?
The canonical SMILES for [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate is CCC(=O)O[C@H]1[C@H](OC)[C@H]2OC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate?
The InChIKey is QJDWMEHBLUXXHU-PRSXHHODSA-N. The full InChI is InChI=1S/C16H26O7/c1-7-8(17)19-10-9(18-6)11-13(22-15(2,3)20-11)14-12(10)21-16(4,5)23-14/h9-14H,7H2,1-6H3/t9-,10-,11+,12+,13+,14+/m0/s1.
What are the key properties of [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate?
[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate has a molecular weight of 330.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] propanoate is sourced from PubChem (CID 44573135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).