(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one

C16H30O2Si — CID 10684338

IUPAC(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14H,9-11H2,1-7H3/t12-,14+/m0/s1
InChIKeyCOTFAOQAVMCITM-GXTWGEPZSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds5

About (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one

(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one (PubChem CID 10684338) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
PubChem CID10684338
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
SMILESCC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H30O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14H,9-11H2,1-7H3/t12-,14+/m0/s1
InChIKeyCOTFAOQAVMCITM-GXTWGEPZSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-[(1R)-2-bromo-3-methylcyclopent-2-en-1-yl]butoxy]-tert-butyl-dimethylsilane
CID 10736421
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one
CID 102319341
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096
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
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methylcyclohexa-1,4-dien-1-yl)butan-2-ol
CID 11044678
tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
CID 175866159
methyl (1S,2S)-2-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 53475417
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one (CID 10684338) is (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one is CC1=CC[C@H]([C@@H](C)CCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one?
The InChIKey is COTFAOQAVMCITM-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(14-9-8-13(2)15(14)17)10-11-18-19(6,7)16(3,4)5/h8,12,14H,9-11H2,1-7H3/t12-,14+/m0/s1.
What are the key properties of (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one?
(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10684338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).