trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane

C18H26O2Si — CID 101123581

IUPACtrimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane
SMILESC[Si](C)(C)O/C(=C\C[C@@H]1CCC[C@H]2O[C@@H]12)c1ccccc1
InChIInChI=1S/C18H26O2Si/c1-21(2,3)20-16(14-8-5-4-6-9-14)13-12-15-10-7-11-17-18(15)19-17/h4-6,8-9,13,15,17-18H,7,10-12H2,1-3H3/b16-13-/t15-,17+,18-/m0/s1
InChIKeyYJFZWCXVNDRXRN-IXWFRJPRSA-N
MW302.49 g/mol
LogP4.84
Rot. Bonds5

About trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane

trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane (PubChem CID 101123581) has the molecular formula C18H26O2Si and a molecular weight of 302.49 g/mol. Its IUPAC name is trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane
PubChem CID101123581
Molecular FormulaC18H26O2Si
Molecular Weight302.49 g/mol
Exact Mass302.17
IUPAC Nametrimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane
SMILESC[Si](C)(C)O/C(=C\C[C@@H]1CCC[C@H]2O[C@@H]12)c1ccccc1
InChIInChI=1S/C18H26O2Si/c1-21(2,3)20-16(14-8-5-4-6-9-14)13-12-15-10-7-11-17-18(15)19-17/h4-6,8-9,13,15,17-18H,7,10-12H2,1-3H3/b16-13-/t15-,17+,18-/m0/s1
InChIKeyYJFZWCXVNDRXRN-IXWFRJPRSA-N
XLogP4.84
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane?
The IUPAC name of trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane (CID 101123581) is trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane.
What is the SMILES notation for trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane?
The canonical SMILES for trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane is C[Si](C)(C)O/C(=C\C[C@@H]1CCC[C@H]2O[C@@H]12)c1ccccc1.
What is the InChIKey of trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane?
The InChIKey is YJFZWCXVNDRXRN-IXWFRJPRSA-N. The full InChI is InChI=1S/C18H26O2Si/c1-21(2,3)20-16(14-8-5-4-6-9-14)13-12-15-10-7-11-17-18(15)19-17/h4-6,8-9,13,15,17-18H,7,10-12H2,1-3H3/b16-13-/t15-,17+,18-/m0/s1.
What are the key properties of trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane?
trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane has a molecular weight of 302.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-3-[(1S,2S,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]-1-phenylprop-1-enoxy]silane is sourced from PubChem (CID 101123581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).