tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane

C18H36OSi2 — CID 11255807

IUPACtert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C([Si](C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-15(20(7,8)9)13-16(18(14,5)6)19-21(10,11)17(2,3)4/h12-14,16H,1H2,2-11H3/t14-,16-/m0/s1
InChIKeySDIFWYJNSSMOSM-HOCLYGCPSA-N
MW324.66 g/mol
LogP6.02
Rot. Bonds4

About tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 11255807) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID11255807
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C([Si](C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-15(20(7,8)9)13-16(18(14,5)6)19-21(10,11)17(2,3)4/h12-14,16H,1H2,2-11H3/t14-,16-/m0/s1
InChIKeySDIFWYJNSSMOSM-HOCLYGCPSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.66
LogP ≤ 56.02
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'}

Analyze tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(1E,3R)-1-cyclopropyl-4,4-dimethylhepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 53472948
Tert-butyl-dimethyl-(5-methylcyclopent-2-en-1-yl)oxysilane
CID 134878754
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
(4S,7S)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999300
(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999409
tert-butyl-dimethyl-[(1S,5R)-5-prop-2-enylcyclopent-2-en-1-yl]oxysilane
CID 135056068
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-methylhex-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079747
ethenyl-dimethyl-[(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 17789835
Ethenyl-dimethyl-[3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 54142192
ethenyl-dimethyl-[(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-yl]oxysilane
CID 57810602
tert-butyl[((1S,2S)-2-{[tert-butyl(dimethyl)silyl]oxy}cyclopent-3-en-1-yl)methoxy]dimethylsilane
CID 59671393

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane (CID 11255807) is tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane is C=C[C@H]1C([Si](C)(C)C)=C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is SDIFWYJNSSMOSM-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H36OSi2/c1-12-14-15(20(7,8)9)13-16(18(14,5)6)19-21(10,11)17(2,3)4/h12-14,16H,1H2,2-11H3/t14-,16-/m0/s1.
What are the key properties of tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 324.66 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,4R)-4-ethenyl-5,5-dimethyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11255807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).