tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane

C23H44O3Si — CID 10548799

IUPACtert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane
SMILESCCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-13-16-20(26-27(5,6)22(2,3)4)21-19-24-23(25-21)17-14-12-15-18-23/h11,13,20-21H,7-10,12,14-19H2,1-6H3/b13-11-/t20-,21+/m0/s1
InChIKeyKYPMONZRLRAUOZ-BBRGTYKNSA-N
MW396.69 g/mol
LogP6.98
Rot. Bonds9

About tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane

tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane (PubChem CID 10548799) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane
PubChem CID10548799
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Nametert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane
SMILESCCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C23H44O3Si/c1-7-8-9-10-11-13-16-20(26-27(5,6)22(2,3)4)21-19-24-23(25-21)17-14-12-15-18-23/h11,13,20-21H,7-10,12,14-19H2,1-6H3/b13-11-/t20-,21+/m0/s1
InChIKeyKYPMONZRLRAUOZ-BBRGTYKNSA-N
XLogP6.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 56.98
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane (CID 10548799) is tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane is CCCCC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane?
The InChIKey is KYPMONZRLRAUOZ-BBRGTYKNSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-7-8-9-10-11-13-16-20(26-27(5,6)22(2,3)4)21-19-24-23(25-21)17-14-12-15-18-23/h11,13,20-21H,7-10,12,14-19H2,1-6H3/b13-11-/t20-,21+/m0/s1.
What are the key properties of tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane?
tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane has a molecular weight of 396.69 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]non-3-enoxy]-dimethylsilane is sourced from PubChem (CID 10548799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).