trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane

C12H20O2Si — CID 134939463

IUPACtrimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
SMILESC=C(C)[C@@H]1C=C(O[Si](C)(C)C)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C12H20O2Si/c1-8(2)9-6-10-12(13-10)11(7-9)14-15(3,4)5/h7,9-10,12H,1,6H2,2-5H3/t9-,10+,12+/m0/s1
InChIKeyHCXQVAFUDSUNHR-HOSYDEDBSA-N
MW224.38 g/mol
LogP3.09
Rot. Bonds3

About trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane

trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane (PubChem CID 134939463) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
PubChem CID134939463
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Nametrimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
SMILESC=C(C)[C@@H]1C=C(O[Si](C)(C)C)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C12H20O2Si/c1-8(2)9-6-10-12(13-10)11(7-9)14-15(3,4)5/h7,9-10,12H,1,6H2,2-5H3/t9-,10+,12+/m0/s1
InChIKeyHCXQVAFUDSUNHR-HOSYDEDBSA-N
XLogP3.09
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.09
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': '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-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
[(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
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
2-(4,6-Diethylcyclohexa-1,3-dien-1-yl)-3-(methoxymethyl)oxirane
CID 163936240
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
(8-But-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10060795

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane (CID 134939463) is trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane is C=C(C)[C@@H]1C=C(O[Si](C)(C)C)[C@@H]2O[C@@H]2C1.
What is the InChIKey of trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The InChIKey is HCXQVAFUDSUNHR-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-8(2)9-6-10-12(13-10)11(7-9)14-15(3,4)5/h7,9-10,12H,1,6H2,2-5H3/t9-,10+,12+/m0/s1.
What are the key properties of trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane has a molecular weight of 224.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane is sourced from PubChem (CID 134939463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).