(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

C16H30O6Si — CID 11057127

IUPAC(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC(C)(O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C16H30O6Si/c1-14(2,3)23(7,8)22-12-10-9(20-16(12,6)17)11-13(18-10)21-15(4,5)19-11/h9-13,17H,1-8H3/t9-,10-,11+,12-,13+,16?/m0/s1
InChIKeyPDXFMFUBYVTHQF-XTYQAYIYSA-N
MW346.50 g/mol
LogP2.36
Rot. Bonds2

About (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol

(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (PubChem CID 11057127) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.

Molecular Properties

Compound Name(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
PubChem CID11057127
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
SMILESCC1(C)O[C@H]2O[C@H]3[C@H](OC(C)(O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C16H30O6Si/c1-14(2,3)23(7,8)22-12-10-9(20-16(12,6)17)11-13(18-10)21-15(4,5)19-11/h9-13,17H,1-8H3/t9-,10-,11+,12-,13+,16?/m0/s1
InChIKeyPDXFMFUBYVTHQF-XTYQAYIYSA-N
XLogP2.36
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol with MolForge

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Related Compounds

[(3aR,6S,6aR)-5-ethynyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 22831851
(1S,2S,6S,8R,9S)-10,10-difluoro-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-ol
CID 23235836
(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11782604
[(2R,3S)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]methanol
CID 10853033
(3aR,4R,5S,6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-ol
CID 10787913
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 101334742
(1S,3S,4R,5S,7S,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dioxatricyclo[3.3.1.13,7]decane-1,3-diol
CID 139060551
(3aR,5S,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772695
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 14561357
[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane
CID 11305775
CID 10239533
CID 10239533
(1S,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 140579372

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The IUPAC name of (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol (CID 11057127) is (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol.
What is the SMILES notation for (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The canonical SMILES for (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is CC1(C)O[C@H]2O[C@H]3[C@H](OC(C)(O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
The InChIKey is PDXFMFUBYVTHQF-XTYQAYIYSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-14(2,3)23(7,8)22-12-10-9(20-16(12,6)17)11-13(18-10)21-15(4,5)19-11/h9-13,17H,1-8H3/t9-,10-,11+,12-,13+,16?/m0/s1.
What are the key properties of (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol?
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol has a molecular weight of 346.50 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol is sourced from PubChem (CID 11057127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).