tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane

C16H28O3Si — CID 72682513

IUPACtert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
SMILESC=CCOC1CC2(CO[Si](C)(C)C(C)(C)C)C=CC1O2
InChIInChI=1S/C16H28O3Si/c1-7-10-17-14-11-16(9-8-13(14)19-16)12-18-20(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3
InChIKeyKOTWSJPEXFBDBM-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.68
Rot. Bonds6

About tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane

tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane (PubChem CID 72682513) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
PubChem CID72682513
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nametert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
SMILESC=CCOC1CC2(CO[Si](C)(C)C(C)(C)C)C=CC1O2
InChIInChI=1S/C16H28O3Si/c1-7-10-17-14-11-16(9-8-13(14)19-16)12-18-20(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3
InChIKeyKOTWSJPEXFBDBM-UHFFFAOYSA-N
XLogP3.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[(1S,5R)-7-methylidene-6-oxabicyclo[3.2.1]oct-3-en-1-yl]oxy]silane
CID 134832645
[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
[(2R,3aR,7aR)-2-ethenyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202927
[(E)-2-[(2R,3aR,7aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]ethenyl] acetate
CID 60203814
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy-tri(propan-2-yl)silane
CID 134887451
Cbvgbhmdzrxjbz-uhfffaoysa-
CID 23254712
tert-butyl-[[(3S,7S)-1-[(1S)-1-methoxyprop-2-enyl]-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy]-dimethylsilane
CID 57720351
tert-butyl(dimethyl)silyl (5S,6R)-1-oxaspiro[4.4]non-3-en-6-yl ether
CID 10634730
[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 11044677
(1R,2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 60202920
[(2S,3aR,7aR)-2-(oxiran-2-yl)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202921
[(2R,3aR,7aR)-2-(oxiran-2-yl)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202989

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane (CID 72682513) is tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane is C=CCOC1CC2(CO[Si](C)(C)C(C)(C)C)C=CC1O2.
What is the InChIKey of tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane?
The InChIKey is KOTWSJPEXFBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-7-10-17-14-11-16(9-8-13(14)19-16)12-18-20(5,6)15(2,3)4/h7-9,13-14H,1,10-12H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane?
tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane has a molecular weight of 296.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane is sourced from PubChem (CID 72682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).