[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol

C12H24O2Si — CID 46193781

IUPAC[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(CO)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,11,13H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyWNYLSRIHPOFCRE-NSHDSACASA-N
MW228.41 g/mol
LogP3.09
Rot. Bonds3

About [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol

[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol (PubChem CID 46193781) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
PubChem CID46193781
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(CO)CC1
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,11,13H,6-7,9H2,1-5H3/t11-/m0/s1
InChIKeyWNYLSRIHPOFCRE-NSHDSACASA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.09
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 [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol?
The IUPAC name of [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol (CID 46193781) is [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol.
What is the SMILES notation for [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol?
The canonical SMILES for [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(CO)CC1.
What is the InChIKey of [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol?
The InChIKey is WNYLSRIHPOFCRE-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-7-6-10(8-11)9-13/h8,11,13H,6-7,9H2,1-5H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol?
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol has a molecular weight of 228.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol is sourced from PubChem (CID 46193781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).