triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane

C16H28O3Si — CID 134862159

IUPACtriethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H28O3Si/c1-8-13-15(18-16(6,7)17-13)14(9-2)19-20(10-3,11-4)12-5/h1,9,13-15H,2,10-12H2,3-7H3/t13-,14-,15-/m1/s1
InChIKeyVTRBQOZLKULFKE-RBSFLKMASA-N
MW296.48 g/mol
LogP3.72
Rot. Bonds7

About triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane

triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane (PubChem CID 134862159) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
PubChem CID134862159
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Nametriethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
SMILESC#C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](CC)(CC)CC
InChIInChI=1S/C16H28O3Si/c1-8-13-15(18-16(6,7)17-13)14(9-2)19-20(10-3,11-4)12-5/h1,9,13-15H,2,10-12H2,3-7H3/t13-,14-,15-/m1/s1
InChIKeyVTRBQOZLKULFKE-RBSFLKMASA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane?
The IUPAC name of triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane (CID 134862159) is triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane.
What is the SMILES notation for triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane?
The canonical SMILES for triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane is C#C[C@H]1OC(C)(C)O[C@H]1[C@@H](C=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane?
The InChIKey is VTRBQOZLKULFKE-RBSFLKMASA-N. The full InChI is InChI=1S/C16H28O3Si/c1-8-13-15(18-16(6,7)17-13)14(9-2)19-20(10-3,11-4)12-5/h1,9,13-15H,2,10-12H2,3-7H3/t13-,14-,15-/m1/s1.
What are the key properties of triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane?
triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane has a molecular weight of 296.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane is sourced from PubChem (CID 134862159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).