(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione

C16H22O6 — CID 177409496

IUPAC(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione
SMILESCC1(C)OC2[C@H](O1)C(=O)CC[C@H]1C(C)(C)O[C@@H]3CC(=O)OC231
InChIInChI=1S/C16H22O6/c1-14(2)9-6-5-8(17)12-13(22-15(3,4)21-12)16(9)10(19-14)7-11(18)20-16/h9-10,12-13H,5-7H2,1-4H3/t9-,10+,12+,13?,16?/m0/s1
InChIKeySLJOEGUPUDXVMJ-VGMRCNJRSA-N
MW310.35 g/mol
LogP1.35
Rot. Bonds

About (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione

(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione (PubChem CID 177409496) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione.

Molecular Properties

Compound Name(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione
PubChem CID177409496
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione
SMILESCC1(C)OC2[C@H](O1)C(=O)CC[C@H]1C(C)(C)O[C@@H]3CC(=O)OC231
InChIInChI=1S/C16H22O6/c1-14(2)9-6-5-8(17)12-13(22-15(3,4)21-12)16(9)10(19-14)7-11(18)20-16/h9-10,12-13H,5-7H2,1-4H3/t9-,10+,12+,13?,16?/m0/s1
InChIKeySLJOEGUPUDXVMJ-VGMRCNJRSA-N
XLogP1.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione?
The IUPAC name of (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione (CID 177409496) is (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione.
What is the SMILES notation for (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione?
The canonical SMILES for (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione is CC1(C)OC2[C@H](O1)C(=O)CC[C@H]1C(C)(C)O[C@@H]3CC(=O)OC231.
What is the InChIKey of (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione?
The InChIKey is SLJOEGUPUDXVMJ-VGMRCNJRSA-N. The full InChI is InChI=1S/C16H22O6/c1-14(2)9-6-5-8(17)12-13(22-15(3,4)21-12)16(9)10(19-14)7-11(18)20-16/h9-10,12-13H,5-7H2,1-4H3/t9-,10+,12+,13?,16?/m0/s1.
What are the key properties of (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione?
(2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione has a molecular weight of 310.35 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,10S,13R)-4,4,11,11-tetramethyl-3,5,12,16-tetraoxatetracyclo[8.6.0.01,13.02,6]hexadecane-7,15-dione is sourced from PubChem (CID 177409496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).