tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane

C24H50O3Si2 — CID 10718073

IUPACtert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)COCOCC[Si](C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-13-23(27-29(11,12)24(5,6)7)22(4)17-20(2)16-21(3)18-26-19-25-14-15-28(8,9)10/h17,21,23H,2,13-16,18-19H2,1,3-12H3/b22-17+/t21-,23+/m0/s1
InChIKeyLRZBPDOUBCAENR-ODDPSODOSA-N
MW442.83 g/mol
LogP7.64
Rot. Bonds14

About tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane (PubChem CID 10718073) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane
PubChem CID10718073
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Nametert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)COCOCC[Si](C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-13-23(27-29(11,12)24(5,6)7)22(4)17-20(2)16-21(3)18-26-19-25-14-15-28(8,9)10/h17,21,23H,2,13-16,18-19H2,1,3-12H3/b22-17+/t21-,23+/m0/s1
InChIKeyLRZBPDOUBCAENR-ODDPSODOSA-N
XLogP7.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 57.64
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane (CID 10718073) is tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane is C=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)COCOCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane?
The InChIKey is LRZBPDOUBCAENR-ODDPSODOSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-13-23(27-29(11,12)24(5,6)7)22(4)17-20(2)16-21(3)18-26-19-25-14-15-28(8,9)10/h17,21,23H,2,13-16,18-19H2,1,3-12H3/b22-17+/t21-,23+/m0/s1.
What are the key properties of tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane has a molecular weight of 442.83 g/mol, XLogP of 7.64, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R,8S)-4,8-dimethyl-6-methylidene-9-(2-trimethylsilylethoxymethoxy)non-4-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10718073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).