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

C21H38O3Si — CID 53475902

IUPAC(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O
InChIInChI=1S/C21H38O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13,15-16,18,22H,10-12H2,1-9H3/t15-,16-,18+,20+,21-/m1/s1
InChIKeyMLUOBGGCAFOWDI-XDISJUHXSA-N
MW366.62 g/mol
LogP5.05
Rot. Bonds3

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

(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol (PubChem CID 53475902) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol.

Molecular Properties

Compound Name(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
PubChem CID53475902
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol
SMILESCC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O
InChIInChI=1S/C21H38O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13,15-16,18,22H,10-12H2,1-9H3/t15-,16-,18+,20+,21-/m1/s1
InChIKeyMLUOBGGCAFOWDI-XDISJUHXSA-N
XLogP5.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-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,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The IUPAC name of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol (CID 53475902) is (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol.
What is the SMILES notation for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The canonical SMILES for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol is CC1=C2[C@@H](CC1)[C@]1(C)O[C@@](C(C)C)(C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2O.
What is the InChIKey of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
The InChIKey is MLUOBGGCAFOWDI-XDISJUHXSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-13(2)21-12-16(23-25(8,9)19(4,5)6)20(7,24-21)15-11-10-14(3)17(15)18(21)22/h13,15-16,18,22H,10-12H2,1-9H3/t15-,16-,18+,20+,21-/m1/s1.
What are the key properties of (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol?
(1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol has a molecular weight of 366.62 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undec-5-en-7-ol is sourced from PubChem (CID 53475902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).