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

C21H36O3Si — CID 140868886

IUPAC(1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C3CC3)C=C3[C@@H](CC[C@]3(C)O)[C@]1(C)O2
InChIInChI=1S/C21H36O3Si/c1-18(2,3)25(6,7)23-17-13-21(14-8-9-14)12-16-15(20(17,5)24-21)10-11-19(16,4)22/h12,14-15,17,22H,8-11,13H2,1-7H3/t15-,17-,19+,20+,21+/m1/s1
InChIKeySAOHFJZRVAACKJ-ZIKUCTJESA-N
MW364.60 g/mol
LogP4.81
Rot. Bonds3

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

(1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol (PubChem CID 140868886) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol.

Molecular Properties

Compound Name(1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol
PubChem CID140868886
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name(1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C3CC3)C=C3[C@@H](CC[C@]3(C)O)[C@]1(C)O2
InChIInChI=1S/C21H36O3Si/c1-18(2,3)25(6,7)23-17-13-21(14-8-9-14)12-16-15(20(17,5)24-21)10-11-19(16,4)22/h12,14-15,17,22H,8-11,13H2,1-7H3/t15-,17-,19+,20+,21+/m1/s1
InChIKeySAOHFJZRVAACKJ-ZIKUCTJESA-N
XLogP4.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 54.81
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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol?
The IUPAC name of (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol (CID 140868886) is (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol.
What is the SMILES notation for (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol?
The canonical SMILES for (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C3CC3)C=C3[C@@H](CC[C@]3(C)O)[C@]1(C)O2.
What is the InChIKey of (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol?
The InChIKey is SAOHFJZRVAACKJ-ZIKUCTJESA-N. The full InChI is InChI=1S/C21H36O3Si/c1-18(2,3)25(6,7)23-17-13-21(14-8-9-14)12-16-15(20(17,5)24-21)10-11-19(16,4)22/h12,14-15,17,22H,8-11,13H2,1-7H3/t15-,17-,19+,20+,21+/m1/s1.
What are the key properties of (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol?
(1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol has a molecular weight of 364.60 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8S,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-cyclopropyl-1,5-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-en-5-ol is sourced from PubChem (CID 140868886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).