(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol

C28H38O6Si — CID 10074644

IUPAC(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
SMILESCC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C28H38O6Si/c1-26(2,3)35(18-14-10-8-11-15-18,19-16-12-9-13-17-19)34-25-23-21(30-27(4,5)32-23)20(29)22-24(25)33-28(6,7)31-22/h8-17,20-25,29H,1-7H3/t20?,21-,22+,23-,24-,25?/m1/s1
InChIKeySFPIFESXSAQLCS-NEGOCDRDSA-N
MW498.69 g/mol
LogP3.35
Rot. Bonds4

About (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol

(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol (PubChem CID 10074644) has the molecular formula C28H38O6Si and a molecular weight of 498.69 g/mol. Its IUPAC name is (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol.

Molecular Properties

Compound Name(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
PubChem CID10074644
Molecular FormulaC28H38O6Si
Molecular Weight498.69 g/mol
Exact Mass498.24
IUPAC Name(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
SMILESCC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C28H38O6Si/c1-26(2,3)35(18-14-10-8-11-15-18,19-16-12-9-13-17-19)34-25-23-21(30-27(4,5)32-23)20(29)22-24(25)33-28(6,7)31-22/h8-17,20-25,29H,1-7H3/t20?,21-,22+,23-,24-,25?/m1/s1
InChIKeySFPIFESXSAQLCS-NEGOCDRDSA-N
XLogP3.35
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The IUPAC name of (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol (CID 10074644) is (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol.
What is the SMILES notation for (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The canonical SMILES for (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol is CC1(C)O[C@@H]2C(O)[C@@H]3OC(C)(C)O[C@H]3C(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1.
What is the InChIKey of (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
The InChIKey is SFPIFESXSAQLCS-NEGOCDRDSA-N. The full InChI is InChI=1S/C28H38O6Si/c1-26(2,3)35(18-14-10-8-11-15-18,19-16-12-9-13-17-19)34-25-23-21(30-27(4,5)32-23)20(29)22-24(25)33-28(6,7)31-22/h8-17,20-25,29H,1-7H3/t20?,21-,22+,23-,24-,25?/m1/s1.
What are the key properties of (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol?
(1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol has a molecular weight of 498.69 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,7R,9R)-8-[tert-butyl(diphenyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol is sourced from PubChem (CID 10074644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).