[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane

C18H32OSi — CID 10017243

IUPAC[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
SMILESCC(C)=C(C[Si](C)(C)C)[C@@H]1CCC[C@@]12C=CC(C)(C)O2
InChIInChI=1S/C18H32OSi/c1-14(2)15(13-20(5,6)7)16-9-8-10-18(16)12-11-17(3,4)19-18/h11-12,16H,8-10,13H2,1-7H3/t16-,18+/m0/s1
InChIKeyQEAILUQEBHNRCE-FUHWJXTLSA-N
MW292.54 g/mol
LogP5.56
Rot. Bonds3

About [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane

[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane (PubChem CID 10017243) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
PubChem CID10017243
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
SMILESCC(C)=C(C[Si](C)(C)C)[C@@H]1CCC[C@@]12C=CC(C)(C)O2
InChIInChI=1S/C18H32OSi/c1-14(2)15(13-20(5,6)7)16-9-8-10-18(16)12-11-17(3,4)19-18/h11-12,16H,8-10,13H2,1-7H3/t16-,18+/m0/s1
InChIKeyQEAILUQEBHNRCE-FUHWJXTLSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.56
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-dimethyl-[[(1S,5R)-7-(prop-2-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy]silane
CID 12111604
[2-cyclohexylidene-2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10616607
[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10711669
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
CID 101270899
tert-butyl-[(1S,2R)-1-(3,6-dihydro-2H-pyran-5-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 101270902
trimethyl-[(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-dien-12-yl]silane
CID 160995178

Frequently Asked Questions

What is the IUPAC name of [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane?
The IUPAC name of [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane (CID 10017243) is [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane.
What is the SMILES notation for [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane?
The canonical SMILES for [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane is CC(C)=C(C[Si](C)(C)C)[C@@H]1CCC[C@@]12C=CC(C)(C)O2.
What is the InChIKey of [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane?
The InChIKey is QEAILUQEBHNRCE-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14(2)15(13-20(5,6)7)16-9-8-10-18(16)12-11-17(3,4)19-18/h11-12,16H,8-10,13H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane?
[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane is sourced from PubChem (CID 10017243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).