(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione

C18H28O5Si — CID 166448822

IUPAC(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione
SMILESC[C@@H]1[C@@H]2OC2C23OC(=O)C[C@]12CC(=O)C(C)(O[Si](C)(C)C)C3(C)C
InChIInChI=1S/C18H28O5Si/c1-10-13-14(21-13)18-15(2,3)16(4,23-24(5,6)7)11(19)8-17(10,18)9-12(20)22-18/h10,13-14H,8-9H2,1-7H3/t10-,13+,14?,16?,17-,18?/m1/s1
InChIKeyQSZLHCCEQNDRJA-GLECVFSGSA-N
MW352.50 g/mol
LogP2.68
Rot. Bonds2

About (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione

(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione (PubChem CID 166448822) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione.

Molecular Properties

Compound Name(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione
PubChem CID166448822
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Name(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione
SMILESC[C@@H]1[C@@H]2OC2C23OC(=O)C[C@]12CC(=O)C(C)(O[Si](C)(C)C)C3(C)C
InChIInChI=1S/C18H28O5Si/c1-10-13-14(21-13)18-15(2,3)16(4,23-24(5,6)7)11(19)8-17(10,18)9-12(20)22-18/h10,13-14H,8-9H2,1-7H3/t10-,13+,14?,16?,17-,18?/m1/s1
InChIKeyQSZLHCCEQNDRJA-GLECVFSGSA-N
XLogP2.68
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione with MolForge

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Related Compounds

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CID 20789692
(1R,10R)-4-hydroxy-4,5,5,10-tetramethyl-7-oxatricyclo[4.3.3.01,6]dodecane-3,8-dione
CID 166448826
4,4,5,5-tetramethyloxolan-2-one
CID 547832
5',5'-dimethylspiro[11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-4-ene-9,4'-oxolane]-2'-one
CID 20789736
(4S,5R)-5-hydroxy-4,6,6-trimethyloxan-2-one
CID 13412067
(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
CID 5325909
methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
4-(dimethoxymethyl)-5,5-dimethyloxolan-2-one
CID 71521739
5,6,6-trimethyloxan-2-one
CID 20872380
(4S)-4-methyl-4-(3,5,7-trimethyl-1-adamantyl)oxetan-2-one
CID 7123511
CID 174120508
CID 174120508

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione?
The IUPAC name of (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione (CID 166448822) is (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione.
What is the SMILES notation for (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione?
The canonical SMILES for (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione is C[C@@H]1[C@@H]2OC2C23OC(=O)C[C@]12CC(=O)C(C)(O[Si](C)(C)C)C3(C)C.
What is the InChIKey of (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione?
The InChIKey is QSZLHCCEQNDRJA-GLECVFSGSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-10-13-14(21-13)18-15(2,3)16(4,23-24(5,6)7)11(19)8-17(10,18)9-12(20)22-18/h10,13-14H,8-9H2,1-7H3/t10-,13+,14?,16?,17-,18?/m1/s1.
What are the key properties of (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione?
(2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione has a molecular weight of 352.50 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6R)-5,9,10,10-tetramethyl-9-trimethylsilyloxy-3,11-dioxatetracyclo[4.4.3.01,6.02,4]tridecane-8,12-dione is sourced from PubChem (CID 166448822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).