tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane

C16H30OSi — CID 10400744

IUPACtert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane
SMILESC=C1CCC[C@@]12CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-13-9-7-11-16(13)12-8-10-14(16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3/t14-,16-/m1/s1
InChIKeyQVIGMVKGFAXAPZ-GDBMZVCRSA-N
MW266.50 g/mol
LogP5.29
Rot. Bonds2

About tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane

tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane (PubChem CID 10400744) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane
PubChem CID10400744
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane
SMILESC=C1CCC[C@@]12CCC[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-13-9-7-11-16(13)12-8-10-14(16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3/t14-,16-/m1/s1
InChIKeyQVIGMVKGFAXAPZ-GDBMZVCRSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.29
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-(2,2-dimethyl-4,5-dimethylidenecyclopentyl)oxy-dimethylsilane
CID 11345776
[(1S,2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 57326161
[(1R,2R,5R)-2-ethenyl-2-methyl-5-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020042
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
Tert-butyl-dimethyl-(4-methylidenespiro[4.4]nonan-1-yl)oxysilane
CID 171844194
Tert-butyl-dimethyl-(7-methylidenespiro[2.4]heptan-4-yl)oxysilane
CID 171844297
tert-butyl-dimethyl-[(5R,9S)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane
CID 10264945
tert-butyl-dimethyl-[(5R,9R)-spiro[4.4]non-3-en-9-yl]oxysilane
CID 11172805

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane (CID 10400744) is tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane is C=C1CCC[C@@]12CCC[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane?
The InChIKey is QVIGMVKGFAXAPZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H30OSi/c1-13-9-7-11-16(13)12-8-10-14(16)17-18(5,6)15(2,3)4/h14H,1,7-12H2,2-6H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane?
tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane has a molecular weight of 266.50 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5R,9R)-4-methylidenespiro[4.4]nonan-9-yl]oxysilane is sourced from PubChem (CID 10400744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).