tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane

C22H42O3Si — CID 6442587

IUPACtert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1
InChIInChI=1S/C22H42O3Si/c1-22(2,3)26(4,5)25-20-15-9-8-14-19(20)13-7-6-11-17-23-21-16-10-12-18-24-21/h6,11,19-21H,7-10,12-18H2,1-5H3/b11-6+/t19-,20-,21?/m0/s1
InChIKeyDHYICUVIFIWYSB-QLBBVHJXSA-N
MW382.66 g/mol
LogP6.45
Rot. Bonds8

About tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane (PubChem CID 6442587) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane
PubChem CID6442587
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1
InChIInChI=1S/C22H42O3Si/c1-22(2,3)26(4,5)25-20-15-9-8-14-19(20)13-7-6-11-17-23-21-16-10-12-18-24-21/h6,11,19-21H,7-10,12-18H2,1-5H3/b11-6+/t19-,20-,21?/m0/s1
InChIKeyDHYICUVIFIWYSB-QLBBVHJXSA-N
XLogP6.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane (CID 6442587) is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?
The InChIKey is DHYICUVIFIWYSB-QLBBVHJXSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-22(2,3)26(4,5)25-20-15-9-8-14-19(20)13-7-6-11-17-23-21-16-10-12-18-24-21/h6,11,19-21H,7-10,12-18H2,1-5H3/b11-6+/t19-,20-,21?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane has a molecular weight of 382.66 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 6442587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).