(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol

C13H26O3Si — CID 135017264

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)CO
InChIInChI=1S/C13H26O3Si/c1-10-7-11(8-13(10,15)9-14)16-17(5,6)12(2,3)4/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyMLZOPGULAAFMSR-AAEUAGOBSA-N
MW258.43 g/mol
LogP2.45
Rot. Bonds3

About (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol (PubChem CID 135017264) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
PubChem CID135017264
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)CO
InChIInChI=1S/C13H26O3Si/c1-10-7-11(8-13(10,15)9-14)16-17(5,6)12(2,3)4/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1
InChIKeyMLZOPGULAAFMSR-AAEUAGOBSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-3-en-1-ol
CID 60170022
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(E,2R,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-4-ene-1,2,3-triol
CID 44466531
(E,1R)-1-[(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 44466532
4-(t-Butyldimethylsilyloxymethyl)-3,4-dimethyl-cyclo-pent-2-enol
CID 129825837
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-yl]methanol
CID 135010059
2-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
CID 135044795
4-[Tert-butyl(dimethyl)silyl]oxy-1,2,5-trimethylcyclopent-2-en-1-ol
CID 138970503
(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol
CID 11172898
(2E,5S,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-diene-1,5-diol
CID 11371296
1,5-Dimethyl-6-trimethylsilylcyclohex-4-ene-1,2-diol
CID 71438034
(5-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl alcohol
CID 54371071

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol (CID 135017264) is (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol is CC1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]1(O)CO.
What is the InChIKey of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
The InChIKey is MLZOPGULAAFMSR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-7-11(8-13(10,15)9-14)16-17(5,6)12(2,3)4/h7,11,14-15H,8-9H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol has a molecular weight of 258.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 135017264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).