[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane

C17H32O2Si — CID 11044677

IUPAC[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C[C@]2(C)O[C@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-15-14(7)10-17(16,8)18-15/h10-13,15-16H,9H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyANVVCGWQGHGALC-ULQDDVLXSA-N
MW296.53 g/mol
LogP5.05
Rot. Bonds5

About [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane

[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11044677) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID11044677
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC1=C[C@]2(C)O[C@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-15-14(7)10-17(16,8)18-15/h10-13,15-16H,9H2,1-8H3/t15-,16-,17-/m0/s1
InChIKeyANVVCGWQGHGALC-ULQDDVLXSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.05
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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Related Compounds

[(2R,3aR,7aR)-2-ethenyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202927
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
CID 172571323
tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 172571483
tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-(2-trimethylsilylethynyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 172571514
tert-butyl-dimethyl-[[(1R,4R,5R)-5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy]silane
CID 60203813
tert-butyl-dimethyl-[(1S)-1-[(2R)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 101012753
tert-butyl-dimethyl-[(1R)-1-[(2R)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 101012755
tert-butyl-[[(1R,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
CID 102014710
tert-butyl-dimethyl-[[(1R,2S,3S,4S)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 132595409

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane (CID 11044677) is [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane is CC1=C[C@]2(C)O[C@H]1C[C@@H]2O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ANVVCGWQGHGALC-ULQDDVLXSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-11(2)20(12(3)4,13(5)6)19-16-9-15-14(7)10-17(16,8)18-15/h10-13,15-16H,9H2,1-8H3/t15-,16-,17-/m0/s1.
What are the key properties of [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane?
[(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 296.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-1,5-dimethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11044677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).