4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one

C19H36O3Si — CID 54280335

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
SMILESCCCCCC(C=CC1CC(=O)OC1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-9-10-11-17(22-23(6,7)19(3,4)5)13-12-16-14-18(20)21-15(16)2/h12-13,15-17H,8-11,14H2,1-7H3
InChIKeyRQJCIMKMJLZQCF-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.46
Rot. Bonds8

About 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one

4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one (PubChem CID 54280335) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
PubChem CID54280335
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one
SMILESCCCCCC(C=CC1CC(=O)OC1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-8-9-10-11-17(22-23(6,7)19(3,4)5)13-12-16-14-18(20)21-15(16)2/h12-13,15-17H,8-11,14H2,1-7H3
InChIKeyRQJCIMKMJLZQCF-UHFFFAOYSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one (CID 54280335) is 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one is CCCCCC(C=CC1CC(=O)OC1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
The InChIKey is RQJCIMKMJLZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-8-9-10-11-17(22-23(6,7)19(3,4)5)13-12-16-14-18(20)21-15(16)2/h12-13,15-17H,8-11,14H2,1-7H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one?
4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-methyloxolan-2-one is sourced from PubChem (CID 54280335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).