tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane

C21H36O3Si — CID 13073171

IUPACtert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane
SMILESC=C1/C=C/[C@H](C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(CO2)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C21H36O3Si/c1-14(2)16-10-9-15(3)11-17-19(23-17)21(13-22-21)18(12-16)24-25(7,8)20(4,5)6/h9-10,14,16-19H,3,11-13H2,1-2,4-8H3/b10-9+/t16-,17+,18-,19+,21-/m0/s1
InChIKeyPKSJOUMJKZHIRA-TYAOIIAZSA-N
MW364.60 g/mol
LogP5.09
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane

tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane (PubChem CID 13073171) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane
PubChem CID13073171
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Nametert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane
SMILESC=C1/C=C/[C@H](C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(CO2)[C@@H]2O[C@@H]2C1
InChIInChI=1S/C21H36O3Si/c1-14(2)16-10-9-15(3)11-17-19(23-17)21(13-22-21)18(12-16)24-25(7,8)20(4,5)6/h9-10,14,16-19H,3,11-13H2,1-2,4-8H3/b10-9+/t16-,17+,18-,19+,21-/m0/s1
InChIKeyPKSJOUMJKZHIRA-TYAOIIAZSA-N
XLogP5.09
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane with MolForge

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Related Compounds

[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]methoxy-tri(propan-2-yl)silane
CID 134942486
tert-butyl-dimethyl-[[(1S,2S,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
CID 177406255
tert-butyl-dimethyl-[[(1R,2R,6E,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
CID 177506000
tert-butyl-dimethyl-[[(1S,2R,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
CID 177556101
tert-butyl-dimethyl-[[(1R,2S,6E,10E,14R)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-yl]oxy]silane
CID 177614915

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane (CID 13073171) is tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane is C=C1/C=C/[C@H](C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(CO2)[C@@H]2O[C@@H]2C1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane?
The InChIKey is PKSJOUMJKZHIRA-TYAOIIAZSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-14(2)16-10-9-15(3)11-17-19(23-17)21(13-22-21)18(12-16)24-25(7,8)20(4,5)6/h9-10,14,16-19H,3,11-13H2,1-2,4-8H3/b10-9+/t16-,17+,18-,19+,21-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane?
tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane has a molecular weight of 364.60 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2R,3S,5S,6E,10R)-8-methylidene-5-propan-2-ylspiro[11-oxabicyclo[8.1.0]undec-6-ene-2,2'-oxirane]-3-yl]oxysilane is sourced from PubChem (CID 13073171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).