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

C21H38O3Si — CID 89052515

IUPAC(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane
SMILESC=CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2
InChIInChI=1S/C21H38O3Si/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/h10,14,17-18H,1,11-13,15H2,2-9H3
InChIKeyMIYKRGISXBFLNS-UHFFFAOYSA-N
MW366.62 g/mol
LogP5.83
Rot. Bonds6

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

(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane (PubChem CID 89052515) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane
PubChem CID89052515
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane
SMILESC=CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2
InChIInChI=1S/C21H38O3Si/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/h10,14,17-18H,1,11-13,15H2,2-9H3
InChIKeyMIYKRGISXBFLNS-UHFFFAOYSA-N
XLogP5.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.83
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'}

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Frequently Asked Questions

What is the IUPAC name of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane?
The IUPAC name of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane (CID 89052515) is (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane.
What is the SMILES notation for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane?
The canonical SMILES for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane is C=CC1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.
What is the InChIKey of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane?
The InChIKey is MIYKRGISXBFLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O3Si/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/h10,14,17-18H,1,11-13,15H2,2-9H3.
What are the key properties of (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane?
(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane has a molecular weight of 366.62 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane is sourced from PubChem (CID 89052515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).