cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one

C13H26O3Si — CID 10753716

IUPACcis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(=O)C[C@H]1CO
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-11-7-12(15)6-10(11)8-14/h10-11,14H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyPHTPYTSAGSDFHC-WDEREUQCSA-N
MW258.43 g/mol
LogP2.60
Rot. Bonds4

About cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one

cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one (PubChem CID 10753716) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Namecis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
PubChem CID10753716
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namecis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CC(=O)C[C@H]1CO
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-11-7-12(15)6-10(11)8-14/h10-11,14H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyPHTPYTSAGSDFHC-WDEREUQCSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
(1R,4S,5R,6R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 101368826
tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 91034299
cis-(3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)cyclopentan-1-one
CID 22959074
[(1S,2R)-2-(hydroxymethyl)-4-oxocyclopentyl]methyl acetate
CID 11412792
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
(3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67577941
(3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylcyclohexan-1-one
CID 11165096
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
CID 59063136
N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide
CID 101216486
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852

Frequently Asked Questions

What is the IUPAC name of cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one (CID 10753716) is cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one is CC(C)(C)[Si](C)(C)OC[C@H]1CC(=O)C[C@H]1CO.
What is the InChIKey of cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is PHTPYTSAGSDFHC-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-11-7-12(15)6-10(11)8-14/h10-11,14H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one?
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 258.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 10753716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).