tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane

C14H26O2Si — CID 10015202

IUPACtert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
SMILESCC1OC12CCCC=C2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-14(15-11)10-8-7-9-12(14)16-17(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyNHSLASYSXHGXCW-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.23
Rot. Bonds2

About tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane

tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane (PubChem CID 10015202) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
PubChem CID10015202
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nametert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
SMILESCC1OC12CCCC=C2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-11-14(15-11)10-8-7-9-12(14)16-17(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyNHSLASYSXHGXCW-UHFFFAOYSA-N
XLogP4.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 11644380
trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 46839064
trimethyl-[[(1S,6S)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889932
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134939463
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
CID 139263633
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
[(1S,4S,5S)-4-tert-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263635
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
Trimethyl(7-oxabicyclo[4.1.0]hept-2-en-2-yloxy)silane
CID 11084546
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane (CID 10015202) is tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane is CC1OC12CCCC=C2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane?
The InChIKey is NHSLASYSXHGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11-14(15-11)10-8-7-9-12(14)16-17(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane?
tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane has a molecular weight of 254.45 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane is sourced from PubChem (CID 10015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).