[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol

C26H34O6Si — CID 122385253

IUPAC[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol
SMILESCC(C)(C)[Si](OC[C@]1(CO)C[C@@H]2OC[C@H]3OCO[C@H]3[C@@H]2O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O6Si/c1-25(2,3)33(19-10-6-4-7-11-19,20-12-8-5-9-13-20)31-17-26(16-27)14-21-24(32-26)23-22(15-28-21)29-18-30-23/h4-13,21-24,27H,14-18H2,1-3H3/t21-,22+,23+,24+,26+/m0/s1
InChIKeyFXQBNLQJCUHCQF-VIMOMQNVSA-N
MW470.64 g/mol
LogP2.22
Rot. Bonds6

About [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol

[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol (PubChem CID 122385253) has the molecular formula C26H34O6Si and a molecular weight of 470.64 g/mol. Its IUPAC name is [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol.

Molecular Properties

Compound Name[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol
PubChem CID122385253
Molecular FormulaC26H34O6Si
Molecular Weight470.64 g/mol
Exact Mass470.21
IUPAC Name[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol
SMILESCC(C)(C)[Si](OC[C@]1(CO)C[C@@H]2OC[C@H]3OCO[C@H]3[C@@H]2O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O6Si/c1-25(2,3)33(19-10-6-4-7-11-19,20-12-8-5-9-13-20)31-17-26(16-27)14-21-24(32-26)23-22(15-28-21)29-18-30-23/h4-13,21-24,27H,14-18H2,1-3H3/t21-,22+,23+,24+,26+/m0/s1
InChIKeyFXQBNLQJCUHCQF-VIMOMQNVSA-N
XLogP2.22
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol with MolForge

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Related Compounds

1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131
ethyl (1S,3S,4S,5S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 101336180
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,2-dimethyl-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl] benzoate
CID 175984773
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
(3aS,6R,6aS)-3a-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxylic acid
CID 15343718
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol?
The IUPAC name of [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol (CID 122385253) is [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol.
What is the SMILES notation for [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol?
The canonical SMILES for [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol is CC(C)(C)[Si](OC[C@]1(CO)C[C@@H]2OC[C@H]3OCO[C@H]3[C@@H]2O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol?
The InChIKey is FXQBNLQJCUHCQF-VIMOMQNVSA-N. The full InChI is InChI=1S/C26H34O6Si/c1-25(2,3)33(19-10-6-4-7-11-19,20-12-8-5-9-13-20)31-17-26(16-27)14-21-24(32-26)23-22(15-28-21)29-18-30-23/h4-13,21-24,27H,14-18H2,1-3H3/t21-,22+,23+,24+,26+/m0/s1.
What are the key properties of [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol?
[(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol has a molecular weight of 470.64 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6R,9S,11R)-11-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecan-11-yl]methanol is sourced from PubChem (CID 122385253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).