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

C13H22O2Si — CID 46839064

IUPACtrimethyl-[[(1S,4R,6S)-1-methyl-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@@]2(C)O[C@H]2C1
InChIInChI=1S/C13H22O2Si/c1-9(2)10-7-11-13(3,14-11)12(8-10)15-16(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m1/s1
InChIKeySEUYSVWYCRZTMR-MDZLAQPJSA-N
MW238.40 g/mol
LogP3.48
Rot. Bonds3

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

trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane (PubChem CID 46839064) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
PubChem CID46839064
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Nametrimethyl-[[(1S,4R,6S)-1-methyl-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@@]2(C)O[C@H]2C1
InChIInChI=1S/C13H22O2Si/c1-9(2)10-7-11-13(3,14-11)12(8-10)15-16(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m1/s1
InChIKeySEUYSVWYCRZTMR-MDZLAQPJSA-N
XLogP3.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.48
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,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
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792
(2,2-Dimethyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10013942
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
Tert-butyl-dimethyl-(1-oxaspiro[2.6]non-4-en-4-yloxy)silane
CID 10037969
Trimethyl(1-oxaspiro[2.6]non-4-en-4-yloxy)silane
CID 10059049
(8-But-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10060795
Trimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10398284

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The IUPAC name of 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) is trimethyl-[[(1S,4R,6S)-1-methyl-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-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,4R,6S)-1-methyl-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@@]2(C)O[C@H]2C1.
What is the InChIKey of trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
The InChIKey is SEUYSVWYCRZTMR-MDZLAQPJSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-9(2)10-7-11-13(3,14-11)12(8-10)15-16(4,5)6/h8,10-11H,1,7H2,2-6H3/t10-,11+,13+/m1/s1.
What are the key properties of trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane?
trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane has a molecular weight of 238.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane is sourced from PubChem (CID 46839064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).