[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

C18H34O3Si — CID 11186447

IUPAC[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](OC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-8-15(20-17(19)18(2,3)4)16(21-22(5,6)7)14-12-10-9-11-13-14/h8,14-16H,1,9-13H2,2-7H3/t15-,16-/m1/s1
InChIKeyWPVXCLUCSZMDTM-HZPDHXFCSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds6

About [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 11186447) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
PubChem CID11186447
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C[C@@H](OC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C)C1CCCCC1
InChIInChI=1S/C18H34O3Si/c1-8-15(20-17(19)18(2,3)4)16(21-22(5,6)7)14-12-10-9-11-13-14/h8,14-16H,1,9-13H2,2-7H3/t15-,16-/m1/s1
InChIKeyWPVXCLUCSZMDTM-HZPDHXFCSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (CID 11186447) is [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is C=C[C@@H](OC(=O)C(C)(C)C)[C@H](O[Si](C)(C)C)C1CCCCC1.
What is the InChIKey of [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The InChIKey is WPVXCLUCSZMDTM-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-15(20-17(19)18(2,3)4)16(21-22(5,6)7)14-12-10-9-11-13-14/h8,14-16H,1,9-13H2,2-7H3/t15-,16-/m1/s1.
What are the key properties of [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
[(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-cyclohexyl-1-trimethylsilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11186447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).