tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane

C27H46O5Si — CID 10624504

IUPACtert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C27H46O5Si/c1-21(2)12-11-13-22(3)14-15-24-25(30-19-28-7)16-23(17-26(24)31-20-29-8)18-32-33(9,10)27(4,5)6/h12,14,16-17H,11,13,15,18-20H2,1-10H3/b22-14+
InChIKeyPYNYDGKJXOGSHY-HYARGMPZSA-N
MW478.75 g/mol
LogP7.41
Rot. Bonds14

About tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane (PubChem CID 10624504) has the molecular formula C27H46O5Si and a molecular weight of 478.75 g/mol. Its IUPAC name is tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane
PubChem CID10624504
Molecular FormulaC27H46O5Si
Molecular Weight478.75 g/mol
Exact Mass478.31
IUPAC Nametert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane
SMILESCOCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C27H46O5Si/c1-21(2)12-11-13-22(3)14-15-24-25(30-19-28-7)16-23(17-26(24)31-20-29-8)18-32-33(9,10)27(4,5)6/h12,14,16-17H,11,13,15,18-20H2,1-10H3/b22-14+
InChIKeyPYNYDGKJXOGSHY-HYARGMPZSA-N
XLogP7.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane with MolForge

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Related Compounds

CID 3081957
CID 3081957
CID 11089605
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CID 40469923
CID 40469923
CID 121596816
CID 121596816
CID 44586880
CID 44586880
CID 121596815
CID 121596815
CID 54763025
CID 54763025
CID 137640795
CID 137640795
CID 21055524
CID 21055524
CID 155531641
CID 155531641
CID 155566631
CID 155566631
CID 524841
CID 524841

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane (CID 10624504) is tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane is COCOc1cc(CO[Si](C)(C)C(C)(C)C)cc(OCOC)c1C/C=C(\C)CCC=C(C)C.
What is the InChIKey of tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane?
The InChIKey is PYNYDGKJXOGSHY-HYARGMPZSA-N. The full InChI is InChI=1S/C27H46O5Si/c1-21(2)12-11-13-22(3)14-15-24-25(30-19-28-7)16-23(17-26(24)31-20-29-8)18-32-33(9,10)27(4,5)6/h12,14,16-17H,11,13,15,18-20H2,1-10H3/b22-14+.
What are the key properties of tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane has a molecular weight of 478.75 g/mol, XLogP of 7.41, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(methoxymethoxy)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 10624504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).