[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane

C21H40OSi — CID 101409489

IUPAC[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@H](CCC)[C@@H]1CCC
InChIInChI=1S/C21H40OSi/c1-10-14-18-16(12-3)20(17(13-4)19(18)15-11-2)22-23(8,9)21(5,6)7/h12-13,16-20H,3-4,10-11,14-15H2,1-2,5-9H3/t16-,17+,18+,19-,20?
InChIKeyKZHPIFGFYIJTAZ-SYBFEITBSA-N
MW336.64 g/mol
LogP6.83
Rot. Bonds8

About [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane (PubChem CID 101409489) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane
PubChem CID101409489
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@H](CCC)[C@@H]1CCC
InChIInChI=1S/C21H40OSi/c1-10-14-18-16(12-3)20(17(13-4)19(18)15-11-2)22-23(8,9)21(5,6)7/h12-13,16-20H,3-4,10-11,14-15H2,1-2,5-9H3/t16-,17+,18+,19-,20?
InChIKeyKZHPIFGFYIJTAZ-SYBFEITBSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane (CID 101409489) is [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane is C=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@H](CCC)[C@@H]1CCC.
What is the InChIKey of [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KZHPIFGFYIJTAZ-SYBFEITBSA-N. The full InChI is InChI=1S/C21H40OSi/c1-10-14-18-16(12-3)20(17(13-4)19(18)15-11-2)22-23(8,9)21(5,6)7/h12-13,16-20H,3-4,10-11,14-15H2,1-2,5-9H3/t16-,17+,18+,19-,20?.
What are the key properties of [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-2,5-bis(ethenyl)-3,4-dipropylcyclopentyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101409489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).