methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate

C15H26O3Si — CID 135047987

IUPACmethyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate
SMILESC=C(C)[C@H]1CC=C(C[Si](C)(C)C)[C@@H](OC(=O)OC)C1
InChIInChI=1S/C15H26O3Si/c1-11(2)12-7-8-13(10-19(4,5)6)14(9-12)18-15(16)17-3/h8,12,14H,1,7,9-10H2,2-6H3/t12-,14-/m0/s1
InChIKeyKLLKYDCZDAVQBH-JSGCOSHPSA-N
MW282.46 g/mol
LogP4.39
Rot. Bonds4

About methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate

methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate (PubChem CID 135047987) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate.

Molecular Properties

Compound Namemethyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate
PubChem CID135047987
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Namemethyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate
SMILESC=C(C)[C@H]1CC=C(C[Si](C)(C)C)[C@@H](OC(=O)OC)C1
InChIInChI=1S/C15H26O3Si/c1-11(2)12-7-8-13(10-19(4,5)6)14(9-12)18-15(16)17-3/h8,12,14H,1,7,9-10H2,2-6H3/t12-,14-/m0/s1
InChIKeyKLLKYDCZDAVQBH-JSGCOSHPSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 54.39
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 methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate?
The IUPAC name of methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate (CID 135047987) is methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate.
What is the SMILES notation for methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate?
The canonical SMILES for methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate is C=C(C)[C@H]1CC=C(C[Si](C)(C)C)[C@@H](OC(=O)OC)C1.
What is the InChIKey of methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate?
The InChIKey is KLLKYDCZDAVQBH-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-11(2)12-7-8-13(10-19(4,5)6)14(9-12)18-15(16)17-3/h8,12,14H,1,7,9-10H2,2-6H3/t12-,14-/m0/s1.
What are the key properties of methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate?
methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate has a molecular weight of 282.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(1S,5S)-5-prop-1-en-2-yl-2-(trimethylsilylmethyl)cyclohex-2-en-1-yl] carbonate is sourced from PubChem (CID 135047987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).