3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one

C15H28O3Si — CID 11065997

IUPAC3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3
InChIKeyXZHRCEJRCOFZDE-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.26
Rot. Bonds6

About 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one

3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one (PubChem CID 11065997) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one
PubChem CID11065997
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one
SMILESC=C1CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3
InChIKeyXZHRCEJRCOFZDE-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one?
The IUPAC name of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one (CID 11065997) is 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one.
What is the SMILES notation for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one?
The canonical SMILES for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one is C=C1CC(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one?
The InChIKey is XZHRCEJRCOFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3.
What are the key properties of 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one?
3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one has a molecular weight of 284.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylideneoxolan-2-one is sourced from PubChem (CID 11065997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).