(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

C11H22O2Si — CID 58012745

IUPAC(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@@H]1O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyXXGWVHMVRKQVFX-UWVGGRQHSA-N
MW214.38 g/mol
LogP2.70
Rot. Bonds2

About (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol

(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (PubChem CID 58012745) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
PubChem CID58012745
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@@H]1O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyXXGWVHMVRKQVFX-UWVGGRQHSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The IUPAC name of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol (CID 58012745) is (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CC=C[C@@H]1O.
What is the InChIKey of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
The InChIKey is XXGWVHMVRKQVFX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)13-10-8-6-7-9(10)12/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol?
(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol has a molecular weight of 214.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 58012745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).