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

C14H24O2Si — CID 10060794

IUPACtrimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane
SMILESC[Si](C)(C)OC1=CC2CCCCC2CC12CO2
InChIInChI=1S/C14H24O2Si/c1-17(2,3)16-13-8-11-6-4-5-7-12(11)9-14(13)10-15-14/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyFBZWBTQNMYFRDJ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.70
Rot. Bonds2

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

trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane (PubChem CID 10060794) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane.

Molecular Properties

Compound Nametrimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane
PubChem CID10060794
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Nametrimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane
SMILESC[Si](C)(C)OC1=CC2CCCCC2CC12CO2
InChIInChI=1S/C14H24O2Si/c1-17(2,3)16-13-8-11-6-4-5-7-12(11)9-14(13)10-15-14/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyFBZWBTQNMYFRDJ-UHFFFAOYSA-N
XLogP3.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.70
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

(8-But-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10060795
trimethyl-[[(4E)-1-oxaspiro[2.7]dec-4-en-4-yl]oxy]silane
CID 10398808
tert-butyl-dimethyl-spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxysilane
CID 10447181

Frequently Asked Questions

What is the IUPAC name of trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane?
The IUPAC name of trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane (CID 10060794) is trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane.
What is the SMILES notation for trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane?
The canonical SMILES for trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane is C[Si](C)(C)OC1=CC2CCCCC2CC12CO2.
What is the InChIKey of trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane?
The InChIKey is FBZWBTQNMYFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-17(2,3)16-13-8-11-6-4-5-7-12(11)9-14(13)10-15-14/h8,11-12H,4-7,9-10H2,1-3H3.
What are the key properties of trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane?
trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane has a molecular weight of 252.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(spiro[4a,5,6,7,8,8a-hexahydro-4H-naphthalene-3,2'-oxirane]-2-yloxy)silane is sourced from PubChem (CID 10060794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).