methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate

C18H36O3Si — CID 10640045

IUPACmethyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@](C)(CC=C(C)C)[C@H](C)CC(=O)OC
InChIInChI=1S/C18H36O3Si/c1-9-22(10-2,11-3)21-18(7,13-12-15(4)5)16(6)14-17(19)20-8/h12,16H,9-11,13-14H2,1-8H3/t16-,18-/m1/s1
InChIKeyFCVWTZHTYWQRCK-SJLPKXTDSA-N
MW328.57 g/mol
LogP5.32
Rot. Bonds10

About methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate

methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate (PubChem CID 10640045) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate.

Molecular Properties

Compound Namemethyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate
PubChem CID10640045
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Namemethyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@](C)(CC=C(C)C)[C@H](C)CC(=O)OC
InChIInChI=1S/C18H36O3Si/c1-9-22(10-2,11-3)21-18(7,13-12-15(4)5)16(6)14-17(19)20-8/h12,16H,9-11,13-14H2,1-8H3/t16-,18-/m1/s1
InChIKeyFCVWTZHTYWQRCK-SJLPKXTDSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.32
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 (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate?
The IUPAC name of methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate (CID 10640045) is methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate.
What is the SMILES notation for methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate?
The canonical SMILES for methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate is CC[Si](CC)(CC)O[C@](C)(CC=C(C)C)[C@H](C)CC(=O)OC.
What is the InChIKey of methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate?
The InChIKey is FCVWTZHTYWQRCK-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-9-22(10-2,11-3)21-18(7,13-12-15(4)5)16(6)14-17(19)20-8/h12,16H,9-11,13-14H2,1-8H3/t16-,18-/m1/s1.
What are the key properties of methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate?
methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate has a molecular weight of 328.57 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3,4,7-trimethyl-4-triethylsilyloxyoct-6-enoate is sourced from PubChem (CID 10640045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).