trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol

C12H26O2Si — CID 56986296

IUPACtrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyHXKPNODUSNJOPI-QWRGUYRKSA-N
MW230.42 g/mol
LogP3.17
Rot. Bonds3

About trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol

trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol (PubChem CID 56986296) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
PubChem CID56986296
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametrans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyHXKPNODUSNJOPI-QWRGUYRKSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol (CID 56986296) is trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The InChIKey is HXKPNODUSNJOPI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol has a molecular weight of 230.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 56986296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).