(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol

C17H30O2Si — CID 177398534

IUPAC(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol
SMILESC=C[C@@]1(O)[C@H]2CC[C@@H]1/C(=C\CO[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C17H30O2Si/c1-7-17(18)14-8-9-15(17)13(12-14)10-11-19-20(5,6)16(2,3)4/h7,10,14-15,18H,1,8-9,11-12H2,2-6H3/b13-10-/t14-,15+,17+/m0/s1
InChIKeyCNCXWYCXTLBYKK-KPXKOICKSA-N
MW294.51 g/mol
LogP4.28
Rot. Bonds4

About (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol

(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol (PubChem CID 177398534) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol
PubChem CID177398534
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol
SMILESC=C[C@@]1(O)[C@H]2CC[C@@H]1/C(=C\CO[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C17H30O2Si/c1-7-17(18)14-8-9-15(17)13(12-14)10-11-19-20(5,6)16(2,3)4/h7,10,14-15,18H,1,8-9,11-12H2,2-6H3/b13-10-/t14-,15+,17+/m0/s1
InChIKeyCNCXWYCXTLBYKK-KPXKOICKSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-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 (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol (CID 177398534) is (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol is C=C[C@@]1(O)[C@H]2CC[C@@H]1/C(=C\CO[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol?
The InChIKey is CNCXWYCXTLBYKK-KPXKOICKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-7-17(18)14-8-9-15(17)13(12-14)10-11-19-20(5,6)16(2,3)4/h7,10,14-15,18H,1,8-9,11-12H2,2-6H3/b13-10-/t14-,15+,17+/m0/s1.
What are the key properties of (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol?
(1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol has a molecular weight of 294.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,4S,7R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7-ethenylbicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 177398534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).