tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane

C16H30O3Si — CID 101096668

IUPACtert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@@]12C=C[C@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13-,16+/m0/s1
InChIKeyJLQYYBTVOCUVOM-HEHGZKQESA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds2

About tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane

tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane (PubChem CID 101096668) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
PubChem CID101096668
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@@]12C=C[C@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13-,16+/m0/s1
InChIKeyJLQYYBTVOCUVOM-HEHGZKQESA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane (CID 101096668) is tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane is C[C@@H]1OC(C)(C)O[C@@]12C=C[C@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The InChIKey is JLQYYBTVOCUVOM-HEHGZKQESA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane has a molecular weight of 298.50 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane is sourced from PubChem (CID 101096668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).