tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane

C17H32O3Si — CID 10892351

IUPACtert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC1C=CC2(C1)OCCO2
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(4,5)20-11-7-6-8-15-9-10-17(14-15)18-12-13-19-17/h9-10,15H,6-8,11-14H2,1-5H3
InChIKeyVTFMUIRNSSSRRS-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane

tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane (PubChem CID 10892351) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane
PubChem CID10892351
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCC1C=CC2(C1)OCCO2
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(4,5)20-11-7-6-8-15-9-10-17(14-15)18-12-13-19-17/h9-10,15H,6-8,11-14H2,1-5H3
InChIKeyVTFMUIRNSSSRRS-UHFFFAOYSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10738587
tert-butyl-[[(2S,3S,6S)-3-butyl-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9995801
tert-butyl-[[(2S,3R,6S)-3-butyl-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 10358297
tert-butyl-[(Z)-6-[(4S,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enoxy]-dimethylsilane
CID 10547164
tert-butyl-[(E)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-enoxy]-dimethylsilane
CID 10619806
[(3Z,7S,8R)-11-(1,3-dioxolan-2-yl)-7-ethenyl-8-methylundeca-1,3-dien-3-yl]oxy-triethylsilane
CID 10992903
tri(propan-2-yl)-[(2E,6E,10R)-3,7,11-trimethyl-10-[[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl]dodeca-2,6,11-trienoxy]silane
CID 10994930
tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11269140
tert-butyl-[(Z)-13-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]tridec-12-enoxy]-dimethylsilane
CID 16115820
tert-butyl-[(1E,3R)-1-[(4R,5R)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]octa-1,7-dien-3-yl]oxy-dimethylsilane
CID 60194786
[(1'R,6'R,8'aR)-6',8'a-dimethyl-1'-propan-2-yl-6'-prop-2-enylspiro[1,3-dioxolane-2,3'-2,5,7,8-tetrahydro-1H-azulene]-5'-yl]oxy-triethylsilane
CID 101521072
tert-butyl-[(Z)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-12-(2-ethoxyethoxy)dodec-1-en-4-yl]oxy-dimethylsilane
CID 102016755

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane (CID 10892351) is tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCC1C=CC2(C1)OCCO2.
What is the InChIKey of tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane?
The InChIKey is VTFMUIRNSSSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16(2,3)21(4,5)20-11-7-6-8-15-9-10-17(14-15)18-12-13-19-17/h9-10,15H,6-8,11-14H2,1-5H3.
What are the key properties of tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane?
tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butoxy]-dimethylsilane is sourced from PubChem (CID 10892351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).