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

C17H34O3Si — CID 10990672

IUPACmethyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC
InChIInChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-16(12-11-14(4)5)15(6)13-17(18)19-7/h11,15-16H,8-10,12-13H2,1-7H3/t15-,16+/m0/s1
InChIKeyLQSMFLYDXBXIDT-JKSUJKDBSA-N
MW314.54 g/mol
LogP4.93
Rot. Bonds10

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

methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate (PubChem CID 10990672) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate.

Molecular Properties

Compound Namemethyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
PubChem CID10990672
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Namemethyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate
SMILESCC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC
InChIInChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-16(12-11-14(4)5)15(6)13-17(18)19-7/h11,15-16H,8-10,12-13H2,1-7H3/t15-,16+/m0/s1
InChIKeyLQSMFLYDXBXIDT-JKSUJKDBSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
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 methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The IUPAC name of methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate (CID 10990672) is methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate.
What is the SMILES notation for methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The canonical SMILES for methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate is CC[Si](CC)(CC)O[C@H](CC=C(C)C)[C@@H](C)CC(=O)OC.
What is the InChIKey of methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
The InChIKey is LQSMFLYDXBXIDT-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-21(9-2,10-3)20-16(12-11-14(4)5)15(6)13-17(18)19-7/h11,15-16H,8-10,12-13H2,1-7H3/t15-,16+/m0/s1.
What are the key properties of methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate?
methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate has a molecular weight of 314.54 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-3,7-dimethyl-4-triethylsilyloxyoct-6-enoate is sourced from PubChem (CID 10990672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).