trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane

C17H30OSi — CID 134997545

IUPACtrimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane
SMILESC[C@H]1[C@@H]2C[C@H](CC13C=CC(C[Si](C)(C)C)O3)C2(C)C
InChIInChI=1S/C17H30OSi/c1-12-15-9-13(16(15,2)3)10-17(12)8-7-14(18-17)11-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14?,15-,17?/m0/s1
InChIKeyLNQSMLVXTIOUDM-AQPXSAIXSA-N
MW278.51 g/mol
LogP4.72
Rot. Bonds2

About trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane

trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane (PubChem CID 134997545) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane
PubChem CID134997545
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametrimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane
SMILESC[C@H]1[C@@H]2C[C@H](CC13C=CC(C[Si](C)(C)C)O3)C2(C)C
InChIInChI=1S/C17H30OSi/c1-12-15-9-13(16(15,2)3)10-17(12)8-7-14(18-17)11-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14?,15-,17?/m0/s1
InChIKeyLNQSMLVXTIOUDM-AQPXSAIXSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 11749629
(1R,2R,3R,5S)-3-cyclohepta-2,4,6-trien-1-yloxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 134897024
[5-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134997266
[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
CID 146166913
2,6,6,7,10-Pentamethyl-1-oxaspiro[4.5]dec-3-ene
CID 67389667
tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-3-ethyl-1-methylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 11165619
[(1aS,4aR,5R,7S,8aR)-4a-methyl-7-propan-2-yl-1a,4,5,6,7,8-hexahydronaphtho[4a,5-b]oxiren-5-yl]-trimethylsilane
CID 11666301

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane?
The IUPAC name of trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane (CID 134997545) is trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane?
The canonical SMILES for trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane is C[C@H]1[C@@H]2C[C@H](CC13C=CC(C[Si](C)(C)C)O3)C2(C)C.
What is the InChIKey of trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane?
The InChIKey is LNQSMLVXTIOUDM-AQPXSAIXSA-N. The full InChI is InChI=1S/C17H30OSi/c1-12-15-9-13(16(15,2)3)10-17(12)8-7-14(18-17)11-19(4,5)6/h7-8,12-15H,9-11H2,1-6H3/t12-,13+,14?,15-,17?/m0/s1.
What are the key properties of trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane?
trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane has a molecular weight of 278.51 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1'S,2'S,5'R)-2',6',6'-trimethylspiro[2H-furan-5,3'-bicyclo[3.1.1]heptane]-2-yl]methyl]silane is sourced from PubChem (CID 134997545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).