[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane

C16H31BrOSi — CID 10736421

IUPAC[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(Br)[C@@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31BrOSi/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h12,14H,8-11H2,1-7H3/t12-,14+/m0/s1
InChIKeyRRTOFEFPTUNZRL-GXTWGEPZSA-N
MW347.41 g/mol
LogP6.11
Rot. Bonds5

About [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane

[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane (PubChem CID 10736421) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane
PubChem CID10736421
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Name[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCC1=C(Br)[C@@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31BrOSi/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h12,14H,8-11H2,1-7H3/t12-,14+/m0/s1
InChIKeyRRTOFEFPTUNZRL-GXTWGEPZSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 56.11
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

(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
CID 10684338
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
methyl (1S,2S)-2-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 53475417
(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one
CID 102319341
3-(4-bromo-1-methylpyrazol-5-yl)oxybutoxy-tert-butyl-dimethylsilane
CID 174156338
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000
(3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylpentan-1-ol
CID 10467808
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane
CID 174191494
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane (CID 10736421) is [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane is CC1=C(Br)[C@@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is RRTOFEFPTUNZRL-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h12,14H,8-11H2,1-7H3/t12-,14+/m0/s1.
What are the key properties of [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane?
[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 347.41 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10736421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).