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

C12H18O5 — CID 10681623

IUPAC(1R,3R,7R,9R)-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@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C12H18O5/c1-11(2)14-6-5-7-10(8(13)9(6)16-11)17-12(3,4)15-7/h6-7,9-10H,5H2,1-4H3/t6-,7-,9-,10-/m1/s1
InChIKeyDHJTWFQRGINYJX-KHUVANEUSA-N
MW242.27 g/mol
LogP1.00
Rot. Bonds

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

(1R,3R,7R,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (PubChem CID 10681623) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (1R,3R,7R,9R)-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)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one
PubChem CID10681623
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(1R,3R,7R,9R)-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@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]2O1
InChIInChI=1S/C12H18O5/c1-11(2)14-6-5-7-10(8(13)9(6)16-11)17-12(3,4)15-7/h6-7,9-10H,5H2,1-4H3/t6-,7-,9-,10-/m1/s1
InChIKeyDHJTWFQRGINYJX-KHUVANEUSA-N
XLogP1.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,3R,7R,9R)-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)-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)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one (CID 10681623) is (1R,3R,7R,9R)-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)-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)-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@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]2O1.
What is the InChIKey of (1R,3R,7R,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
The InChIKey is DHJTWFQRGINYJX-KHUVANEUSA-N. The full InChI is InChI=1S/C12H18O5/c1-11(2)14-6-5-7-10(8(13)9(6)16-11)17-12(3,4)15-7/h6-7,9-10H,5H2,1-4H3/t6-,7-,9-,10-/m1/s1.
What are the key properties of (1R,3R,7R,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one?
(1R,3R,7R,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one has a molecular weight of 242.27 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one is sourced from PubChem (CID 10681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).