propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C15H26O4Si — CID 134979342

IUPACpropan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCC(C)OC(=O)[C@]1(C=O)CC(O[Si](C)(C)C)=CC[C@@H]1C
InChIInChI=1S/C15H26O4Si/c1-11(2)18-14(17)15(10-16)9-13(8-7-12(15)3)19-20(4,5)6/h8,10-12H,7,9H2,1-6H3/t12-,15-/m0/s1
InChIKeyQVTURINVPUANLL-WFASDCNBSA-N
MW298.45 g/mol
LogP3.29
Rot. Bonds5

About propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate

propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 134979342) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID134979342
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Namepropan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCC(C)OC(=O)[C@]1(C=O)CC(O[Si](C)(C)C)=CC[C@@H]1C
InChIInChI=1S/C15H26O4Si/c1-11(2)18-14(17)15(10-16)9-13(8-7-12(15)3)19-20(4,5)6/h8,10-12H,7,9H2,1-6H3/t12-,15-/m0/s1
InChIKeyQVTURINVPUANLL-WFASDCNBSA-N
XLogP3.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 134979342) is propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate is CC(C)OC(=O)[C@]1(C=O)CC(O[Si](C)(C)C)=CC[C@@H]1C.
What is the InChIKey of propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is QVTURINVPUANLL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-11(2)18-14(17)15(10-16)9-13(8-7-12(15)3)19-20(4,5)6/h8,10-12H,7,9H2,1-6H3/t12-,15-/m0/s1.
What are the key properties of propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 298.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (1R,6S)-1-formyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 134979342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).