(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol

C14H26O2Si — CID 102114385

IUPAC(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@](C)(O)[C@H]21
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-11-9-10-7-8-14(4,15)12(10)11/h7-8,10-12,15H,9H2,1-6H3/t10-,11+,12-,14+/m1/s1
InChIKeyIUNHUGCKNVDTQH-CZXHOFHRSA-N
MW254.45 g/mol
LogP3.33
Rot. Bonds2

About (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol

(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol (PubChem CID 102114385) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol
PubChem CID102114385
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@](C)(O)[C@H]21
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-11-9-10-7-8-14(4,15)12(10)11/h7-8,10-12,15H,9H2,1-6H3/t10-,11+,12-,14+/m1/s1
InChIKeyIUNHUGCKNVDTQH-CZXHOFHRSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.33
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 (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol?
The IUPAC name of (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol (CID 102114385) is (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol.
What is the SMILES notation for (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol?
The canonical SMILES for (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C=C[C@](C)(O)[C@H]21.
What is the InChIKey of (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol?
The InChIKey is IUNHUGCKNVDTQH-CZXHOFHRSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(5,6)16-11-9-10-7-8-14(4,15)12(10)11/h7-8,10-12,15H,9H2,1-6H3/t10-,11+,12-,14+/m1/s1.
What are the key properties of (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol?
(1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol has a molecular weight of 254.45 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2-methylbicyclo[3.2.0]hept-3-en-2-ol is sourced from PubChem (CID 102114385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).