tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane

C22H42O3Si — CID 101029306

IUPACtert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
SMILESCCCCC1=CO[C@@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22-/m0/s1
InChIKeyOKGPVSXLTSXXEJ-DWLFOUALSA-N
MW382.66 g/mol
LogP6.79
Rot. Bonds7

About tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane (PubChem CID 101029306) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
PubChem CID101029306
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
SMILESCCCCC1=CO[C@@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2
InChIInChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22-/m0/s1
InChIKeyOKGPVSXLTSXXEJ-DWLFOUALSA-N
XLogP6.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane (CID 101029306) is tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane is CCCCC1=CO[C@@]2(CC1)CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O2.
What is the InChIKey of tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
The InChIKey is OKGPVSXLTSXXEJ-DWLFOUALSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-8-9-10-19-12-15-22(23-17-19)14-11-18(2)20(25-22)13-16-24-26(6,7)21(3,4)5/h17-18,20H,8-16H2,1-7H3/t18-,20+,22-/m0/s1.
What are the key properties of tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane has a molecular weight of 382.66 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3S,6R)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 101029306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).