[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane

C20H36O4Si — CID 10595242

IUPAC[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1
InChIInChI=1S/C20H36O4Si/c1-10-15(2)17-13-20(24-19(6,7)22-17)12-11-16(14-21-20)23-25(8,9)18(3,4)5/h10-12,15-17H,1,13-14H2,2-9H3/t15-,16+,17-,20-/m0/s1
InChIKeyFNSUTPYTKBIZJP-CLWJZODNSA-N
MW368.59 g/mol
LogP5.02
Rot. Bonds4

About [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane

[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10595242) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10595242
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1
InChIInChI=1S/C20H36O4Si/c1-10-15(2)17-13-20(24-19(6,7)22-17)12-11-16(14-21-20)23-25(8,9)18(3,4)5/h10-12,15-17H,1,13-14H2,2-9H3/t15-,16+,17-,20-/m0/s1
InChIKeyFNSUTPYTKBIZJP-CLWJZODNSA-N
XLogP5.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane (CID 10595242) is [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane is C=C[C@H](C)[C@@H]1C[C@]2(C=C[C@@H](O[Si](C)(C)C(C)(C)C)CO2)OC(C)(C)O1.
What is the InChIKey of [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FNSUTPYTKBIZJP-CLWJZODNSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-10-15(2)17-13-20(24-19(6,7)22-17)12-11-16(14-21-20)23-25(8,9)18(3,4)5/h10-12,15-17H,1,13-14H2,2-9H3/t15-,16+,17-,20-/m0/s1.
What are the key properties of [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane?
[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).