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

C13H25BrOSi — CID 99772598

IUPAC[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C=C(Br)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H25BrOSi/c1-12(2,3)16(6,7)15-11-9-13(4,5)8-10(11)14/h8,11H,9H2,1-7H3/t11-/m0/s1
InChIKeyYSHXRTQKXFMIKF-NSHDSACASA-N
MW305.33 g/mol
LogP5.09
Rot. Bonds2

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

[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 99772598) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID99772598
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C=C(Br)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H25BrOSi/c1-12(2,3)16(6,7)15-11-9-13(4,5)8-10(11)14/h8,11H,9H2,1-7H3/t11-/m0/s1
InChIKeyYSHXRTQKXFMIKF-NSHDSACASA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3aR,4S,5S,7aS)-7-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 11071047
(1R,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 89472494
4-[tert-butyl(dimethyl)silyl]oxycyclobutene-1-carbonitrile
CID 102012979
(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11697037
[(3aS,7aR)-6,6-dimethyl-1,3a,7,7a-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 101219353
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 138111138
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 99772598) is [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is CC1(C)C=C(Br)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YSHXRTQKXFMIKF-NSHDSACASA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-12(2,3)16(6,7)15-11-9-13(4,5)8-10(11)14/h8,11H,9H2,1-7H3/t11-/m0/s1.
What are the key properties of [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-bromo-4,4-dimethylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 99772598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).