(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol

C15H26O3Si — CID 53386548

IUPAC(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESC=CC1=C[C@@H](O[Si](CC)(CC)CC)[C@@H]2O[C@]2(C)[C@H]1O
InChIInChI=1S/C15H26O3Si/c1-6-11-10-12(14-15(5,17-14)13(11)16)18-19(7-2,8-3)9-4/h6,10,12-14,16H,1,7-9H2,2-5H3/t12-,13+,14+,15-/m1/s1
InChIKeyZUIGWWSDIHJVLH-CBBWQLFWSA-N
MW282.46 g/mol
LogP3.02
Rot. Bonds6

About (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol

(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol (PubChem CID 53386548) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
PubChem CID53386548
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
SMILESC=CC1=C[C@@H](O[Si](CC)(CC)CC)[C@@H]2O[C@]2(C)[C@H]1O
InChIInChI=1S/C15H26O3Si/c1-6-11-10-12(14-15(5,17-14)13(11)16)18-19(7-2,8-3)9-4/h6,10,12-14,16H,1,7-9H2,2-5H3/t12-,13+,14+,15-/m1/s1
InChIKeyZUIGWWSDIHJVLH-CBBWQLFWSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The IUPAC name of (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol (CID 53386548) is (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol.
What is the SMILES notation for (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The canonical SMILES for (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol is C=CC1=C[C@@H](O[Si](CC)(CC)CC)[C@@H]2O[C@]2(C)[C@H]1O.
What is the InChIKey of (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
The InChIKey is ZUIGWWSDIHJVLH-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-6-11-10-12(14-15(5,17-14)13(11)16)18-19(7-2,8-3)9-4/h6,10,12-14,16H,1,7-9H2,2-5H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol?
(1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol has a molecular weight of 282.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6S)-3-ethenyl-1-methyl-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol is sourced from PubChem (CID 53386548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).