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

C13H22OSi — CID 102387711

IUPACtrimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane
SMILESC=C(C)[C@@H]1C=C([Si](C)(C)C)[C@]2(C)O[C@@H]2C1
InChIInChI=1S/C13H22OSi/c1-9(2)10-7-11-13(3,14-11)12(8-10)15(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m0/s1
InChIKeyKCNFXYVYLVKGPA-DMDPSCGWSA-N
MW222.40 g/mol
LogP3.54
Rot. Bonds2

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

trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane (PubChem CID 102387711) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane
PubChem CID102387711
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Nametrimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane
SMILESC=C(C)[C@@H]1C=C([Si](C)(C)C)[C@]2(C)O[C@@H]2C1
InChIInChI=1S/C13H22OSi/c1-9(2)10-7-11-13(3,14-11)12(8-10)15(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m0/s1
InChIKeyKCNFXYVYLVKGPA-DMDPSCGWSA-N
XLogP3.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Phellandrene epoxide
CID 527087
p-Menthadiene monoxide
CID 15601945
(1S,6R)-6-Methyl-3-(1-methylethyl)-7-oxabicyclo(4.1.0)hept-2-ene
CID 15601946
Trimethyl(1-oxaspiro[2.5]oct-4-en-2-yl)silane
CID 10856146
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
tert-butyl-dimethyl-[2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ylidene]ethoxy]silane
CID 135043759
trans-alpha-Phellandrene epoxide
CID 91747124
(1S,4R,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]hept-2-ene
CID 92859742
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxy]ethyl-trimethylsilane
CID 102245486
(5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 59076513
(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 59076608

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane?
The IUPAC name of trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane (CID 102387711) is trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane?
The canonical SMILES for trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane is C=C(C)[C@@H]1C=C([Si](C)(C)C)[C@]2(C)O[C@@H]2C1.
What is the InChIKey of trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane?
The InChIKey is KCNFXYVYLVKGPA-DMDPSCGWSA-N. The full InChI is InChI=1S/C13H22OSi/c1-9(2)10-7-11-13(3,14-11)12(8-10)15(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m0/s1.
What are the key properties of trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane?
trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane has a molecular weight of 222.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]silane is sourced from PubChem (CID 102387711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).