tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane

C16H34O2Si — CID 151864504

IUPACtert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@H](C[C@@H](CC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C16H34O2Si/c1-10-13(3)15(17-7)12-14(11-2)18-19(8,9)16(4,5)6/h10,13-15H,1,11-12H2,2-9H3/t13-,14+,15-/m0/s1
InChIKeySLJUWDSYFGCRBG-ZNMIVQPWSA-N
MW286.53 g/mol
LogP5.01
Rot. Bonds8

About tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane (PubChem CID 151864504) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane
PubChem CID151864504
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@H](C[C@@H](CC)O[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C16H34O2Si/c1-10-13(3)15(17-7)12-14(11-2)18-19(8,9)16(4,5)6/h10,13-15H,1,11-12H2,2-9H3/t13-,14+,15-/m0/s1
InChIKeySLJUWDSYFGCRBG-ZNMIVQPWSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane (CID 151864504) is tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane is C=C[C@H](C)[C@H](C[C@@H](CC)O[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane?
The InChIKey is SLJUWDSYFGCRBG-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-10-13(3)15(17-7)12-14(11-2)18-19(8,9)16(4,5)6/h10,13-15H,1,11-12H2,2-9H3/t13-,14+,15-/m0/s1.
What are the key properties of tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane has a molecular weight of 286.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5S,6S)-5-methoxy-6-methyloct-7-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 151864504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).