(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one

C16H26O6 — CID 10852749

IUPAC(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCOC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C16H26O6/c1-13(2,18-7)16-8-9-11(20-14(3,4)19-9)10(17)12(16)21-15(5,6)22-16/h9,11-12H,8H2,1-7H3/t9-,11-,12+,16-/m1/s1
InChIKeyDOPLOPOENAMQNC-JGLBJEFFSA-N
MW314.38 g/mol
LogP1.79
Rot. Bonds2

About (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one

(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (PubChem CID 10852749) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one.

Molecular Properties

Compound Name(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
PubChem CID10852749
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCOC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C16H26O6/c1-13(2,18-7)16-8-9-11(20-14(3,4)19-9)10(17)12(16)21-15(5,6)22-16/h9,11-12H,8H2,1-7H3/t9-,11-,12+,16-/m1/s1
InChIKeyDOPLOPOENAMQNC-JGLBJEFFSA-N
XLogP1.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The IUPAC name of (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (CID 10852749) is (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one.
What is the SMILES notation for (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The canonical SMILES for (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is COC(C)(C)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2.
What is the InChIKey of (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The InChIKey is DOPLOPOENAMQNC-JGLBJEFFSA-N. The full InChI is InChI=1S/C16H26O6/c1-13(2,18-7)16-8-9-11(20-14(3,4)19-9)10(17)12(16)21-15(5,6)22-16/h9,11-12H,8H2,1-7H3/t9-,11-,12+,16-/m1/s1.
What are the key properties of (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
(1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one has a molecular weight of 314.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,9R)-7-(2-methoxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is sourced from PubChem (CID 10852749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).