[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane

C23H42O3Si — CID 5377759

IUPAC[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCCC2)OC1C
InChIInChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(18-20-14-10-8-11-15-20)22-19(4)24-23(25-22)16-12-9-13-17-23/h18-20,22H,5-17H2,1-4H3/b21-18-
InChIKeyXXWACBUULRDAFI-UZYVYHOESA-N
MW394.67 g/mol
LogP6.94
Rot. Bonds7

About [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane

[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane (PubChem CID 5377759) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane
PubChem CID5377759
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCCC2)OC1C
InChIInChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(18-20-14-10-8-11-15-20)22-19(4)24-23(25-22)16-12-9-13-17-23/h18-20,22H,5-17H2,1-4H3/b21-18-
InChIKeyXXWACBUULRDAFI-UZYVYHOESA-N
XLogP6.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z)-1-[(4S,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-5-methylhex-2-enoxy]-dimethylsilane
CID 58304851
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
[(3aR,6R,7aR)-6-methyl-6-prop-2-enylspiro[7,7a-dihydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-4-yl]oxy-tert-butyl-dimethylsilane
CID 10595844
tert-butyl-dimethyl-[[(2R,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 11198186
tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-propan-2-yl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11406825
tert-butyl-dimethyl-[[(2S,3S)-3-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 11438809
tert-butyl-[[6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethyl-2-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11773493
(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline
CID 15483580
[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane
CID 21161056

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane?
The IUPAC name of [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane (CID 5377759) is [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane.
What is the SMILES notation for [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane?
The canonical SMILES for [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane is CC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCCC2)OC1C.
What is the InChIKey of [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane?
The InChIKey is XXWACBUULRDAFI-UZYVYHOESA-N. The full InChI is InChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(18-20-14-10-8-11-15-20)22-19(4)24-23(25-22)16-12-9-13-17-23/h18-20,22H,5-17H2,1-4H3/b21-18-.
What are the key properties of [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane?
[(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane has a molecular weight of 394.67 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-cyclohexyl-1-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)ethenoxy]-triethylsilane is sourced from PubChem (CID 5377759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).