[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane

C24H52O3Si3 — CID 132938700

IUPAC[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H52O3Si3/c1-23(2,3)29(10,11)25-19-17-15-14-16-18-20(21-22(26-21)28(7,8)9)27-30(12,13)24(4,5)6/h14,16,20-22H,15,17-19H2,1-13H3/b16-14-/t20-,21-,22-/m0/s1
InChIKeyYCJMGDKCDDJNST-ONCFDGBXSA-N
MW472.94 g/mol
LogP7.77
Rot. Bonds11

About [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane

[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane (PubChem CID 132938700) has the molecular formula C24H52O3Si3 and a molecular weight of 472.94 g/mol. Its IUPAC name is [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane
PubChem CID132938700
Molecular FormulaC24H52O3Si3
Molecular Weight472.94 g/mol
Exact Mass472.32
IUPAC Name[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H52O3Si3/c1-23(2,3)29(10,11)25-19-17-15-14-16-18-20(21-22(26-21)28(7,8)9)27-30(12,13)24(4,5)6/h14,16,20-22H,15,17-19H2,1-13H3/b16-14-/t20-,21-,22-/m0/s1
InChIKeyYCJMGDKCDDJNST-ONCFDGBXSA-N
XLogP7.77
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.94
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane (CID 132938700) is [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane is CC(C)(C)[Si](C)(C)OCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane?
The InChIKey is YCJMGDKCDDJNST-ONCFDGBXSA-N. The full InChI is InChI=1S/C24H52O3Si3/c1-23(2,3)29(10,11)25-19-17-15-14-16-18-20(21-22(26-21)28(7,8)9)27-30(12,13)24(4,5)6/h14,16,20-22H,15,17-19H2,1-13H3/b16-14-/t20-,21-,22-/m0/s1.
What are the key properties of [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane?
[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane has a molecular weight of 472.94 g/mol, XLogP of 7.77, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 132938700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).