trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane

C15H28O6Si — CID 11099635

IUPACtrimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](CO[Si](C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H28O6Si/c1-14(2)18-10-9(8-16-22(5,6)7)17-13-12(11(10)19-14)20-15(3,4)21-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12-,13-/m1/s1
InChIKeyIUGHPMGFBJICPH-KSSYENDESA-N
MW332.47 g/mol
LogP2.23
Rot. Bonds3

About trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane

trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane (PubChem CID 11099635) has the molecular formula C15H28O6Si and a molecular weight of 332.47 g/mol. Its IUPAC name is trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
PubChem CID11099635
Molecular FormulaC15H28O6Si
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Nametrimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
SMILESCC1(C)O[C@H]2[C@@H](O1)[C@@H](CO[Si](C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H28O6Si/c1-14(2)18-10-9(8-16-22(5,6)7)17-13-12(11(10)19-14)20-15(3,4)21-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12-,13-/m1/s1
InChIKeyIUGHPMGFBJICPH-KSSYENDESA-N
XLogP2.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane?
The IUPAC name of trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane (CID 11099635) is trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane.
What is the SMILES notation for trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane?
The canonical SMILES for trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane is CC1(C)O[C@H]2[C@@H](O1)[C@@H](CO[Si](C)(C)C)O[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane?
The InChIKey is IUGHPMGFBJICPH-KSSYENDESA-N. The full InChI is InChI=1S/C15H28O6Si/c1-14(2)18-10-9(8-16-22(5,6)7)17-13-12(11(10)19-14)20-15(3,4)21-13/h9-13H,8H2,1-7H3/t9-,10+,11+,12-,13-/m1/s1.
What are the key properties of trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane?
trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane has a molecular weight of 332.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane is sourced from PubChem (CID 11099635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).