(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol

C27H52O4Si2 — CID 46919355

IUPAC(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol
SMILESCC1=C2[C@@H](C[C@@H]1O)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-17(2)27-16-21(29-32(11,12)24(4,5)6)26(10,31-27)19-15-20(28)18(3)22(19)23(27)30-33(13,14)25(7,8)9/h17,19-21,23,28H,15-16H2,1-14H3/t19-,20+,21-,23-,26+,27-/m1/s1
InChIKeyCOHAWXQREKGGJC-RLFKVNLLSA-N
MW496.88 g/mol
LogP7.05
Rot. Bonds5

About (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol

(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol (PubChem CID 46919355) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol.

Molecular Properties

Compound Name(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol
PubChem CID46919355
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Name(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol
SMILESCC1=C2[C@@H](C[C@@H]1O)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-17(2)27-16-21(29-32(11,12)24(4,5)6)26(10,31-27)19-15-20(28)18(3)22(19)23(27)30-33(13,14)25(7,8)9/h17,19-21,23,28H,15-16H2,1-14H3/t19-,20+,21-,23-,26+,27-/m1/s1
InChIKeyCOHAWXQREKGGJC-RLFKVNLLSA-N
XLogP7.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol?
The IUPAC name of (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol (CID 46919355) is (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol.
What is the SMILES notation for (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol?
The canonical SMILES for (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol is CC1=C2[C@@H](C[C@@H]1O)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol?
The InChIKey is COHAWXQREKGGJC-RLFKVNLLSA-N. The full InChI is InChI=1S/C27H52O4Si2/c1-17(2)27-16-21(29-32(11,12)24(4,5)6)26(10,31-27)19-15-20(28)18(3)22(19)23(27)30-33(13,14)25(7,8)9/h17,19-21,23,28H,15-16H2,1-14H3/t19-,20+,21-,23-,26+,27-/m1/s1.
What are the key properties of (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol?
(1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol has a molecular weight of 496.88 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,7R,8R,10R)-7,10-bis[[tert-butyl(dimethyl)silyl]oxy]-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-4-ol is sourced from PubChem (CID 46919355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).