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

C16H26O6 — CID 44573197

IUPAC(1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
SMILESC=CCO[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/C16H26O6/c1-7-8-18-10-9(17-6)11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h7,9-14H,1,8H2,2-6H3/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKeyAWBGXXGBZSTBRH-PRSXHHODSA-N
MW314.38 g/mol
LogP1.63
Rot. Bonds4

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

(1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane (PubChem CID 44573197) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
PubChem CID44573197
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
SMILESC=CCO[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/C16H26O6/c1-7-8-18-10-9(17-6)11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h7,9-14H,1,8H2,2-6H3/t9-,10-,11+,12+,13+,14+/m0/s1
InChIKeyAWBGXXGBZSTBRH-PRSXHHODSA-N
XLogP1.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane (CID 44573197) is (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane is C=CCO[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,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
The InChIKey is AWBGXXGBZSTBRH-PRSXHHODSA-N. The full InChI is InChI=1S/C16H26O6/c1-7-8-18-10-9(17-6)11-13(21-15(2,3)19-11)14-12(10)20-16(4,5)22-14/h7,9-14H,1,8H2,2-6H3/t9-,10-,11+,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane?
(1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane has a molecular weight of 314.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7S,8S,9R)-7-methoxy-4,4,11,11-tetramethyl-8-prop-2-enoxy-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 44573197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).