[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C14H25BrO2Si — CID 99772915

IUPAC[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C14H25BrO2Si/c1-8-14(16-5)10-11(9-12(14)15)17-18(6,7)13(2,3)4/h8-9,11H,1,10H2,2-7H3/t11-,14-/m1/s1
InChIKeyIVPMPZPWKPNHLV-BXUZGUMPSA-N
MW333.34 g/mol
LogP4.63
Rot. Bonds4

About [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 99772915) has the molecular formula C14H25BrO2Si and a molecular weight of 333.34 g/mol. Its IUPAC name is [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID99772915
Molecular FormulaC14H25BrO2Si
Molecular Weight333.34 g/mol
Exact Mass332.08
IUPAC Name[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br
InChIInChI=1S/C14H25BrO2Si/c1-8-14(16-5)10-11(9-12(14)15)17-18(6,7)13(2,3)4/h8-9,11H,1,10H2,2-7H3/t11-,14-/m1/s1
InChIKeyIVPMPZPWKPNHLV-BXUZGUMPSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 99772915) is [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@]1(OC)C[C@H](O[Si](C)(C)C(C)(C)C)C=C1Br.
What is the InChIKey of [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IVPMPZPWKPNHLV-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H25BrO2Si/c1-8-14(16-5)10-11(9-12(14)15)17-18(6,7)13(2,3)4/h8-9,11H,1,10H2,2-7H3/t11-,14-/m1/s1.
What are the key properties of [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 333.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-3-bromo-4-ethenyl-4-methoxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 99772915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).