tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane

C26H48O4Si2 — CID 101154491

IUPACtert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@]12CCC=C1/C=C\[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C26H48O4Si2/c1-11-32(12-2,13-3)30-26-18-14-15-20(26)16-17-21-23(28-25(7,8)27-21)22(19-26)29-31(9,10)24(4,5)6/h15-17,21-23H,11-14,18-19H2,1-10H3/b17-16-/t21-,22+,23-,26+/m1/s1
InChIKeyDGUNVJGUMDQPLK-NLUHOVPESA-N
MW480.84 g/mol
LogP7.34
Rot. Bonds7

About tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane

tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane (PubChem CID 101154491) has the molecular formula C26H48O4Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
PubChem CID101154491
Molecular FormulaC26H48O4Si2
Molecular Weight480.84 g/mol
Exact Mass480.31
IUPAC Nametert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@]12CCC=C1/C=C\[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C26H48O4Si2/c1-11-32(12-2,13-3)30-26-18-14-15-20(26)16-17-21-23(28-25(7,8)27-21)22(19-26)29-31(9,10)24(4,5)6/h15-17,21-23H,11-14,18-19H2,1-10H3/b17-16-/t21-,22+,23-,26+/m1/s1
InChIKeyDGUNVJGUMDQPLK-NLUHOVPESA-N
XLogP7.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane (CID 101154491) is tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane is CC[Si](CC)(CC)O[C@]12CCC=C1/C=C\[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane?
The InChIKey is DGUNVJGUMDQPLK-NLUHOVPESA-N. The full InChI is InChI=1S/C26H48O4Si2/c1-11-32(12-2,13-3)30-26-18-14-15-20(26)16-17-21-23(28-25(7,8)27-21)22(19-26)29-31(9,10)24(4,5)6/h15-17,21-23H,11-14,18-19H2,1-10H3/b17-16-/t21-,22+,23-,26+/m1/s1.
What are the key properties of tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane has a molecular weight of 480.84 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane is sourced from PubChem (CID 101154491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).