triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane

C21H36O3Si — CID 89052382

IUPACtriethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane
SMILESC#CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2
InChIInChI=1S/C21H36O3Si/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20/h1,14,17-18H,11-13,15H2,2-9H3
InChIKeyQZLWXMJSYFSQFU-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.28
Rot. Bonds5

About triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane

triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane (PubChem CID 89052382) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane.

Molecular Properties

Compound Nametriethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane
PubChem CID89052382
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Nametriethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane
SMILESC#CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2
InChIInChI=1S/C21H36O3Si/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20/h1,14,17-18H,11-13,15H2,2-9H3
InChIKeyQZLWXMJSYFSQFU-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.28
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-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane?
The IUPAC name of triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane (CID 89052382) is triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane.
What is the SMILES notation for triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane?
The canonical SMILES for triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane is C#CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.
What is the InChIKey of triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane?
The InChIKey is QZLWXMJSYFSQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20/h1,14,17-18H,11-13,15H2,2-9H3.
What are the key properties of triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane?
triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane has a molecular weight of 364.60 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(8-ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy]silane is sourced from PubChem (CID 89052382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).