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

C15H24O6 — CID 10732978

IUPAC(1R,3R,7R,9R)-7-(2-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(C(C)(C)O)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C15H24O6/c1-12(2,17)15-7-8-10(19-13(3,4)18-8)9(16)11(15)20-14(5,6)21-15/h8,10-11,17H,7H2,1-6H3/t8-,10-,11+,15-/m1/s1
InChIKeyMTQWTQCSSUSIQI-XEMYVYNMSA-N
MW300.35 g/mol
LogP1.14
Rot. Bonds1

About (1R,3R,7R,9R)-7-(2-hydroxypropan-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-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (PubChem CID 10732978) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is (1R,3R,7R,9R)-7-(2-hydroxypropan-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-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
PubChem CID10732978
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name(1R,3R,7R,9R)-7-(2-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
SMILESCC1(C)O[C@@H]2C[C@@]3(C(C)(C)O)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C15H24O6/c1-12(2,17)15-7-8-10(19-13(3,4)18-8)9(16)11(15)20-14(5,6)21-15/h8,10-11,17H,7H2,1-6H3/t8-,10-,11+,15-/m1/s1
InChIKeyMTQWTQCSSUSIQI-XEMYVYNMSA-N
XLogP1.14
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3R,7R,9R)-7-(2-hydroxypropan-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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Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R,9R)-7-(2-hydroxypropan-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-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (CID 10732978) is (1R,3R,7R,9R)-7-(2-hydroxypropan-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-hydroxypropan-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-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is CC1(C)O[C@@H]2C[C@@]3(C(C)(C)O)OC(C)(C)O[C@H]3C(=O)[C@@H]2O1.
What is the InChIKey of (1R,3R,7R,9R)-7-(2-hydroxypropan-2-yl)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The InChIKey is MTQWTQCSSUSIQI-XEMYVYNMSA-N. The full InChI is InChI=1S/C15H24O6/c1-12(2,17)15-7-8-10(19-13(3,4)18-8)9(16)11(15)20-14(5,6)21-15/h8,10-11,17H,7H2,1-6H3/t8-,10-,11+,15-/m1/s1.
What are the key properties of (1R,3R,7R,9R)-7-(2-hydroxypropan-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-hydroxypropan-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 300.35 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,9R)-7-(2-hydroxypropan-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 10732978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).