cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol

C14H30O2Si — CID 59483083

IUPACcis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
SMILESCC1C(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H30O2Si/c1-10-11(2)13(15)8-12(10)9-16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11?,12+,13?/m1/s1
InChIKeyTXZIAFRPNLMLOY-IGJPJIBNSA-N
MW258.48 g/mol
LogP3.66
Rot. Bonds3

About cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol

cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol (PubChem CID 59483083) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
PubChem CID59483083
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namecis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
SMILESCC1C(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C14H30O2Si/c1-10-11(2)13(15)8-12(10)9-16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11?,12+,13?/m1/s1
InChIKeyTXZIAFRPNLMLOY-IGJPJIBNSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 53.66
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

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
CID 10924524
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
(3aR,4S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58182336
N-[4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-6-hydroxy-2,3-dimethylcyclohexyl]acetamide
CID 165018992
[(1S,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopropyl]methanol
CID 11160591
(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-deuterio-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-ol
CID 10402747
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
tert-butyl-[[(1R,5R)-4,5-dimethylcyclopent-2-en-1-yl]methoxy]-dimethylsilane
CID 59483139
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-ol
CID 10767871

Frequently Asked Questions

What is the IUPAC name of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol?
The IUPAC name of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol (CID 59483083) is cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol?
The canonical SMILES for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol is CC1C(O)C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol?
The InChIKey is TXZIAFRPNLMLOY-IGJPJIBNSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10-11(2)13(15)8-12(10)9-16-17(6,7)14(3,4)5/h10-13,15H,8-9H2,1-7H3/t10-,11?,12+,13?/m1/s1.
What are the key properties of cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol?
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol has a molecular weight of 258.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 59483083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).