cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol

C12H24O3Si — CID 134992962

IUPACcis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol
SMILESC=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C1O
InChIInChI=1S/C12H24O3Si/c1-5-10-8-11(12(10)13)15-9-14-6-7-16(2,3)4/h5,10-13H,1,6-9H2,2-4H3/t10-,11-,12?/m1/s1
InChIKeyKOTNGVXSBDFMRT-XFKKCKKNSA-N
MW244.41 g/mol
LogP2.25
Rot. Bonds7

About cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol

cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol (PubChem CID 134992962) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Namecis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol
PubChem CID134992962
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namecis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol
SMILESC=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C1O
InChIInChI=1S/C12H24O3Si/c1-5-10-8-11(12(10)13)15-9-14-6-7-16(2,3)4/h5,10-13H,1,6-9H2,2-4H3/t10-,11-,12?/m1/s1
InChIKeyKOTNGVXSBDFMRT-XFKKCKKNSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol?
The IUPAC name of cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol (CID 134992962) is cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol.
What is the SMILES notation for cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol?
The canonical SMILES for cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol is C=C[C@@H]1C[C@@H](OCOCC[Si](C)(C)C)C1O.
What is the InChIKey of cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol?
The InChIKey is KOTNGVXSBDFMRT-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-10-8-11(12(10)13)15-9-14-6-7-16(2,3)4/h5,10-13H,1,6-9H2,2-4H3/t10-,11-,12?/m1/s1.
What are the key properties of cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol?
cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol has a molecular weight of 244.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol is sourced from PubChem (CID 134992962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).