tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane

C17H30O2Si — CID 10447181

IUPACtert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC2CCCCC2CC12CO2
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-15-10-13-8-6-7-9-14(13)11-17(15)12-18-17/h10,13-14H,6-9,11-12H2,1-5H3
InChIKeyVBYKWUMMPPTTEV-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.87
Rot. Bonds2

About tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane

tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane (PubChem CID 10447181) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane
PubChem CID10447181
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC2CCCCC2CC12CO2
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-15-10-13-8-6-7-9-14(13)11-17(15)12-18-17/h10,13-14H,6-9,11-12H2,1-5H3
InChIKeyVBYKWUMMPPTTEV-UHFFFAOYSA-N
XLogP4.87
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane
CID 10060794

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane (CID 10447181) is tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane is CC(C)(C)[Si](C)(C)OC1=CC2CCCCC2CC12CO2.
What is the InChIKey of tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane?
The InChIKey is VBYKWUMMPPTTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-15-10-13-8-6-7-9-14(13)11-17(15)12-18-17/h10,13-14H,6-9,11-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane?
tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane has a molecular weight of 294.51 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane is sourced from PubChem (CID 10447181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).