[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane

C23H40OSi — CID 164887943

IUPAC[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane
SMILESC#C[C@@]1(CCC)CC[C@H]2CC[C@@H]1C=C2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H40OSi/c1-9-14-23(10-2)15-13-20-11-12-21(23)16-22(20)24-25(17(3)4,18(5)6)19(7)8/h2,16-21H,9,11-15H2,1,3-8H3/t20-,21-,23-/m1/s1
InChIKeyYJFGLLOBDIXTRV-MQSCRBSSSA-N
MW360.66 g/mol
LogP7.30
Rot. Bonds7

About [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane

[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane (PubChem CID 164887943) has the molecular formula C23H40OSi and a molecular weight of 360.66 g/mol. Its IUPAC name is [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane
PubChem CID164887943
Molecular FormulaC23H40OSi
Molecular Weight360.66 g/mol
Exact Mass360.28
IUPAC Name[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane
SMILESC#C[C@@]1(CCC)CC[C@H]2CC[C@@H]1C=C2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H40OSi/c1-9-14-23(10-2)15-13-20-11-12-21(23)16-22(20)24-25(17(3)4,18(5)6)19(7)8/h2,16-21H,9,11-15H2,1,3-8H3/t20-,21-,23-/m1/s1
InChIKeyYJFGLLOBDIXTRV-MQSCRBSSSA-N
XLogP7.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.66
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane (CID 164887943) is [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane is C#C[C@@]1(CCC)CC[C@H]2CC[C@@H]1C=C2O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane?
The InChIKey is YJFGLLOBDIXTRV-MQSCRBSSSA-N. The full InChI is InChI=1S/C23H40OSi/c1-9-14-23(10-2)15-13-20-11-12-21(23)16-22(20)24-25(17(3)4,18(5)6)19(7)8/h2,16-21H,9,11-15H2,1,3-8H3/t20-,21-,23-/m1/s1.
What are the key properties of [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane?
[(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane has a molecular weight of 360.66 g/mol, XLogP of 7.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-2-ethynyl-2-propyl-6-bicyclo[3.2.2]non-6-enyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 164887943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).