[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane

C23H42O3Si — CID 21161056

IUPAC[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCC2)COC1C
InChIInChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(17-20-13-9-8-10-14-20)22-19(4)24-18-23(25-22)15-11-12-16-23/h17,19-20,22H,5-16,18H2,1-4H3/b21-17-
InChIKeySCMJHBVBIXMCAU-FXBPSFAMSA-N
MW394.67 g/mol
LogP6.59
Rot. Bonds7

About [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane

[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane (PubChem CID 21161056) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane
PubChem CID21161056
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCC2)COC1C
InChIInChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(17-20-13-9-8-10-14-20)22-19(4)24-18-23(25-22)15-11-12-16-23/h17,19-20,22H,5-16,18H2,1-4H3/b21-17-
InChIKeySCMJHBVBIXMCAU-FXBPSFAMSA-N
XLogP6.59
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 ≤ 56.59
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane?
The IUPAC name of [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane (CID 21161056) is [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane.
What is the SMILES notation for [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane?
The canonical SMILES for [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane is CC[Si](CC)(CC)O/C(=C\C1CCCCC1)C1OC2(CCCC2)COC1C.
What is the InChIKey of [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane?
The InChIKey is SCMJHBVBIXMCAU-FXBPSFAMSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-5-27(6-2,7-3)26-21(17-20-13-9-8-10-14-20)22-19(4)24-18-23(25-22)15-11-12-16-23/h17,19-20,22H,5-16,18H2,1-4H3/b21-17-.
What are the key properties of [(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane?
[(Z)-2-cyclohexyl-1-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane has a molecular weight of 394.67 g/mol, XLogP of 6.59, 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-(8-methyl-6,9-dioxaspiro[4.5]decan-7-yl)ethenoxy]-triethylsilane is sourced from PubChem (CID 21161056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).