tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

C38H68O3Si — CID 10746149

IUPACtert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C38H68O3Si/c1-31(2)19-16-20-32(3)21-17-23-34(24-18-22-33(4)29-30-39-42(8,9)38(5,6)7)37(40-35-25-12-10-13-26-35)41-36-27-14-11-15-28-36/h19,21,24,29,35-37H,10-18,20,22-23,25-28,30H2,1-9H3/b32-21+,33-29+,34-24-
InChIKeyVIUSOQURFQYJJZ-BCDBXADESA-N
MW601.05 g/mol
LogP12.16
Rot. Bonds17

About tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (PubChem CID 10746149) has the molecular formula C38H68O3Si and a molecular weight of 601.05 g/mol. Its IUPAC name is tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
PubChem CID10746149
Molecular FormulaC38H68O3Si
Molecular Weight601.05 g/mol
Exact Mass600.49
IUPAC Nametert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C38H68O3Si/c1-31(2)19-16-20-32(3)21-17-23-34(24-18-22-33(4)29-30-39-42(8,9)38(5,6)7)37(40-35-25-12-10-13-26-35)41-36-27-14-11-15-28-36/h19,21,24,29,35-37H,10-18,20,22-23,25-28,30H2,1-9H3/b32-21+,33-29+,34-24-
InChIKeyVIUSOQURFQYJJZ-BCDBXADESA-N
XLogP12.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.05
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (CID 10746149) is tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)C(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
The InChIKey is VIUSOQURFQYJJZ-BCDBXADESA-N. The full InChI is InChI=1S/C38H68O3Si/c1-31(2)19-16-20-32(3)21-17-23-34(24-18-22-33(4)29-30-39-42(8,9)38(5,6)7)37(40-35-25-12-10-13-26-35)41-36-27-14-11-15-28-36/h19,21,24,29,35-37H,10-18,20,22-23,25-28,30H2,1-9H3/b32-21+,33-29+,34-24-.
What are the key properties of tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?
tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane has a molecular weight of 601.05 g/mol, XLogP of 12.16, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6Z,10E)-7-(dicyclohexyloxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 10746149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).