(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione

C21H40O3Si — CID 11111398

IUPAC(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CC[C@H](C)C(=O)CC[C@H](C)C(=O)C1
InChIInChI=1S/C21H40O3Si/c1-8-25(9-2,10-3)24-21(6,7)18-13-11-16(4)19(22)14-12-17(5)20(23)15-18/h16-18H,8-15H2,1-7H3/t16-,17-,18+/m0/s1
InChIKeyBIZHOXSJEWWOAS-OKZBNKHCSA-N
MW368.63 g/mol
LogP5.78
Rot. Bonds6

About (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione

(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione (PubChem CID 11111398) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione.

Molecular Properties

Compound Name(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione
PubChem CID11111398
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CC[C@H](C)C(=O)CC[C@H](C)C(=O)C1
InChIInChI=1S/C21H40O3Si/c1-8-25(9-2,10-3)24-21(6,7)18-13-11-16(4)19(22)14-12-17(5)20(23)15-18/h16-18H,8-15H2,1-7H3/t16-,17-,18+/m0/s1
InChIKeyBIZHOXSJEWWOAS-OKZBNKHCSA-N
XLogP5.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione?
The IUPAC name of (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione (CID 11111398) is (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione.
What is the SMILES notation for (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione?
The canonical SMILES for (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione is CC[Si](CC)(CC)OC(C)(C)[C@@H]1CC[C@H](C)C(=O)CC[C@H](C)C(=O)C1.
What is the InChIKey of (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione?
The InChIKey is BIZHOXSJEWWOAS-OKZBNKHCSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-8-25(9-2,10-3)24-21(6,7)18-13-11-16(4)19(22)14-12-17(5)20(23)15-18/h16-18H,8-15H2,1-7H3/t16-,17-,18+/m0/s1.
What are the key properties of (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione?
(2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione has a molecular weight of 368.63 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,9R)-2,6-dimethyl-9-(2-triethylsilyloxypropan-2-yl)cyclodecane-1,5-dione is sourced from PubChem (CID 11111398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).