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

C18H34O6Si — CID 134841104

IUPACtert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
SMILESCC1(C)OC2C3OC(C)(C)O[C@H]3C(CO[Si](C)(C)C(C)(C)C)O[C@@H]2O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)19-10-11-12-13(22-17(4,5)21-12)14-15(20-11)24-18(6,7)23-14/h11-15H,10H2,1-9H3/t11?,12-,13?,14?,15+/m0/s1
InChIKeyALCYFRDYTKLZHE-TZZMIGRFSA-N
MW374.55 g/mol
LogP3.40
Rot. Bonds3

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

tert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane (PubChem CID 134841104) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(6R,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 Nametert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
PubChem CID134841104
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Nametert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
SMILESCC1(C)OC2C3OC(C)(C)O[C@H]3C(CO[Si](C)(C)C(C)(C)C)O[C@@H]2O1
InChIInChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)19-10-11-12-13(22-17(4,5)21-12)14-15(20-11)24-18(6,7)23-14/h11-15H,10H2,1-9H3/t11?,12-,13?,14?,15+/m0/s1
InChIKeyALCYFRDYTKLZHE-TZZMIGRFSA-N
XLogP3.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.40
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 tert-butyl-dimethyl-[[(6R,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 tert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane (CID 134841104) is tert-butyl-dimethyl-[[(6R,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 tert-butyl-dimethyl-[[(6R,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 tert-butyl-dimethyl-[[(6R,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)OC2C3OC(C)(C)O[C@H]3C(CO[Si](C)(C)C(C)(C)C)O[C@@H]2O1.
What is the InChIKey of tert-butyl-dimethyl-[[(6R,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 ALCYFRDYTKLZHE-TZZMIGRFSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-16(2,3)25(8,9)19-10-11-12-13(22-17(4,5)21-12)14-15(20-11)24-18(6,7)23-14/h11-15H,10H2,1-9H3/t11?,12-,13?,14?,15+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane?
tert-butyl-dimethyl-[[(6R,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 374.55 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(6R,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 134841104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).