tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane

C18H34O4Si — CID 11175288

IUPACtert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane
SMILESCC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@@]32C)O1
InChIInChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-13-11-14-17(6,20-14)18(12-13)9-10-19-16(4,5)22-18/h13-14H,9-12H2,1-8H3/t13-,14-,17-,18+/m0/s1
InChIKeyFPPBOHOFWONZLS-DFEHZGFQSA-N
MW342.55 g/mol
LogP4.24
Rot. Bonds2

About tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane

tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane (PubChem CID 11175288) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane
PubChem CID11175288
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane
SMILESCC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@@]32C)O1
InChIInChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-13-11-14-17(6,20-14)18(12-13)9-10-19-16(4,5)22-18/h13-14H,9-12H2,1-8H3/t13-,14-,17-,18+/m0/s1
InChIKeyFPPBOHOFWONZLS-DFEHZGFQSA-N
XLogP4.24
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane with MolForge

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Related Compounds

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(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 11086779
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
tert-butyl-dimethyl-[[(1R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 87652053
4-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,1-dicarboxylic acid
CID 175981383
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
(5R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,8-trimethyl-1,3,10-trioxaspiro[4.5]decan-8-ol
CID 101133967

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane (CID 11175288) is tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane is CC1(C)OCC[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@@]32C)O1.
What is the InChIKey of tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane?
The InChIKey is FPPBOHOFWONZLS-DFEHZGFQSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-15(2,3)23(7,8)21-13-11-14-17(6,20-14)18(12-13)9-10-19-16(4,5)22-18/h13-14H,9-12H2,1-8H3/t13-,14-,17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane?
tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane has a molecular weight of 342.55 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1'S,3'S,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-yl]oxysilane is sourced from PubChem (CID 11175288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).