(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol

C11H23BrO2Si — CID 101390740

IUPAC(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
SMILESC=C(Br)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrO2Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1H2,2-7H3/t9-,10+/m1/s1
InChIKeyDKJNPFQPXSTHOB-ZJUUUORDSA-N
MW295.29 g/mol
LogP3.67
Rot. Bonds4

About (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol

(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol (PubChem CID 101390740) has the molecular formula C11H23BrO2Si and a molecular weight of 295.29 g/mol. Its IUPAC name is (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
PubChem CID101390740
Molecular FormulaC11H23BrO2Si
Molecular Weight295.29 g/mol
Exact Mass294.07
IUPAC Name(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol
SMILESC=C(Br)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrO2Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1H2,2-7H3/t9-,10+/m1/s1
InChIKeyDKJNPFQPXSTHOB-ZJUUUORDSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 101143354
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
(2S,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-ol
CID 101162769
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The IUPAC name of (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol (CID 101390740) is (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol.
What is the SMILES notation for (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The canonical SMILES for (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol is C=C(Br)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
The InChIKey is DKJNPFQPXSTHOB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H23BrO2Si/c1-8(12)10(13)9(2)14-15(6,7)11(3,4)5/h9-10,13H,1H2,2-7H3/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol?
(3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol has a molecular weight of 295.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-ol is sourced from PubChem (CID 101390740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).