tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane

C13H26O2Si — CID 134996026

IUPACtert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
SMILESC=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C13H26O2Si/c1-7-8-11-9-12(10-14-11)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m0/s1
InChIKeyGQUKFHXBOKEWOM-RYUDHWBXSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds4

About tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane (PubChem CID 134996026) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
PubChem CID134996026
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane
SMILESC=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C13H26O2Si/c1-7-8-11-9-12(10-14-11)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m0/s1
InChIKeyGQUKFHXBOKEWOM-RYUDHWBXSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane (CID 134996026) is tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane is C=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane?
The InChIKey is GQUKFHXBOKEWOM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-11-9-12(10-14-11)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,5S)-5-prop-2-enyloxolan-3-yl]oxysilane is sourced from PubChem (CID 134996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).