tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane

C15H32O2Si — CID 102012577

IUPACtert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane
SMILESC=C[C@@H](C)[C@@H](CCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-9-11-12-14(13(3)10-2)16-17-18(7,8)15(4,5)6/h10,13-14H,2,9,11-12H2,1,3-8H3/t13-,14-/m1/s1
InChIKeyMPDLFYFRZDLRGO-ZIAGYGMSSA-N
MW272.50 g/mol
LogP5.32
Rot. Bonds8

About tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane

tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane (PubChem CID 102012577) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane
PubChem CID102012577
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane
SMILESC=C[C@@H](C)[C@@H](CCCC)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-9-11-12-14(13(3)10-2)16-17-18(7,8)15(4,5)6/h10,13-14H,2,9,11-12H2,1,3-8H3/t13-,14-/m1/s1
InChIKeyMPDLFYFRZDLRGO-ZIAGYGMSSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.32
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-oct-1-en-4-yloxysilane
CID 21528007
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
Silane, dimethyl(pent-4-en-2-yloxy)isohexyloxy-
CID 91698385
Tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
CID 10491465
tert-butyl-dimethyl-[(4S)-2-methyl-6-methylideneoct-7-en-4-yl]oxysilane
CID 11196461
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
triethyl-[(3S,5S)-2,2,5-trimethyloct-7-en-3-yl]oxysilane
CID 44131621
tert-butyl-dimethyl-[(3R)-7-methyloct-1-en-3-yl]oxysilane
CID 46192661
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641
tert-Butyldimethyl[((3R,4R)-4-methyloct-7-en-3-yl)oxy]silan
CID 129889231
tert-butyl-dimethyl-[(3S,4R)-3-methyloct-1-en-4-yl]peroxysilane
CID 134928900

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane (CID 102012577) is tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane is C=C[C@@H](C)[C@@H](CCCC)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane?
The InChIKey is MPDLFYFRZDLRGO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-11-12-14(13(3)10-2)16-17-18(7,8)15(4,5)6/h10,13-14H,2,9,11-12H2,1,3-8H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane?
tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane has a molecular weight of 272.50 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane is sourced from PubChem (CID 102012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).