(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane

C14H30O2Si — CID 154063954

IUPAC(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane
SMILESCC(C)(C)C(OO[SiH3])=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-12(2,3)10(13(4,5)6)11(15-16-17)14(7,8)9/h1-9,17H3
InChIKeyYSVVDQDTIDRCLM-UHFFFAOYSA-N
MW258.48 g/mol
LogP3.61
Rot. Bonds2

About (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane

(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane (PubChem CID 154063954) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane.

Molecular Properties

Compound Name(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane
PubChem CID154063954
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane
SMILESCC(C)(C)C(OO[SiH3])=C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-12(2,3)10(13(4,5)6)11(15-16-17)14(7,8)9/h1-9,17H3
InChIKeyYSVVDQDTIDRCLM-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

copper;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 90105621
tert-butylperoxysilane
CID 123650239
2-tert-butyl-N,N,3,3-tetramethyl-1-silylbut-1-en-1-amine
CID 123906325
silyloxy hydrogen carbonate
CID 173188657
2-(1-methoxy-2,2-dimethylpropylidene)propanedinitrile
CID 54429508
O-[(E)-4-iodo-2,2-dimethylhept-3-en-3-yl]hydroxylamine
CID 154951737
propan-2-yl 2,2-dimethylpropaneperoxoate
CID 54308386
3,3-dimethylbut-1-en-2-ylsilane
CID 173032105
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
chloro hypochlorite;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 160856003
1,1-dichloroethoxysilane
CID 123382571
ethane-1,2-diol;methoxymethane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 22556407

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane?
The IUPAC name of (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane (CID 154063954) is (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane.
What is the SMILES notation for (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane?
The canonical SMILES for (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane is CC(C)(C)C(OO[SiH3])=C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane?
The InChIKey is YSVVDQDTIDRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-12(2,3)10(13(4,5)6)11(15-16-17)14(7,8)9/h1-9,17H3.
What are the key properties of (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane?
(3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane has a molecular weight of 258.48 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,2,5,5-tetramethylhex-3-en-4-yl)peroxysilane is sourced from PubChem (CID 154063954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).