2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane

C21H40O5Si — CID 23652039

IUPAC2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane
SMILESC=CCOC(CC1CCC2(CC1)OCCO2)OCCO[Si](CC)(CC)CC
InChIInChI=1S/C21H40O5Si/c1-5-13-22-20(23-14-17-26-27(6-2,7-3)8-4)18-19-9-11-21(12-10-19)24-15-16-25-21/h5,19-20H,1,6-18H2,2-4H3
InChIKeyFSRKBKMIUJPVAW-UHFFFAOYSA-N
MW400.63 g/mol
LogP4.88
Rot. Bonds13

About 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane

2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane (PubChem CID 23652039) has the molecular formula C21H40O5Si and a molecular weight of 400.63 g/mol. Its IUPAC name is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane.

Molecular Properties

Compound Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane
PubChem CID23652039
Molecular FormulaC21H40O5Si
Molecular Weight400.63 g/mol
Exact Mass400.26
IUPAC Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane
SMILESC=CCOC(CC1CCC2(CC1)OCCO2)OCCO[Si](CC)(CC)CC
InChIInChI=1S/C21H40O5Si/c1-5-13-22-20(23-14-17-26-27(6-2,7-3)8-4)18-19-9-11-21(12-10-19)24-15-16-25-21/h5,19-20H,1,6-18H2,2-4H3
InChIKeyFSRKBKMIUJPVAW-UHFFFAOYSA-N
XLogP4.88
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane?
The IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane (CID 23652039) is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane.
What is the SMILES notation for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane?
The canonical SMILES for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane is C=CCOC(CC1CCC2(CC1)OCCO2)OCCO[Si](CC)(CC)CC.
What is the InChIKey of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane?
The InChIKey is FSRKBKMIUJPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O5Si/c1-5-13-22-20(23-14-17-26-27(6-2,7-3)8-4)18-19-9-11-21(12-10-19)24-15-16-25-21/h5,19-20H,1,6-18H2,2-4H3.
What are the key properties of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane?
2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane has a molecular weight of 400.63 g/mol, XLogP of 4.88, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-prop-2-enoxyethoxy]ethoxy-triethylsilane is sourced from PubChem (CID 23652039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).