5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one

C19H36O3Si — CID 54579414

IUPAC5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one
SMILESC=C1CC(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C19H36O3Si/c1-16-15-17(22-18(16)20)13-11-9-7-8-10-12-14-21-23(5,6)19(2,3)4/h17H,1,7-15H2,2-6H3
InChIKeyQGHPQZBNILWJJP-UHFFFAOYSA-N
MW340.58 g/mol
LogP5.61
Rot. Bonds10

About 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one

5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one (PubChem CID 54579414) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one
PubChem CID54579414
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one
SMILESC=C1CC(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC1=O
InChIInChI=1S/C19H36O3Si/c1-16-15-17(22-18(16)20)13-11-9-7-8-10-12-14-21-23(5,6)19(2,3)4/h17H,1,7-15H2,2-6H3
InChIKeyQGHPQZBNILWJJP-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.61
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Butyl-3-methylideneoxolan-2-one
CID 10820778
3-Methylidene-5-tridecyloxolan-2-one
CID 118708706
2(3H)-Furanone, dihydro-3-methylene-5-pentyl-
CID 10583238
3-Methylidene-5-undecyloxolan-2-one
CID 44265392
2(3H)-Furanone, 5-hexyldihydro-3-methylene-
CID 10856134
5-Dodecyl-3-methylideneoxolan-2-one
CID 134865716
3-Methylidene-5-octyloxolan-2-one
CID 13466844
(2S)-2-methyl-4-[(2R)-2-tri(propan-2-yl)silyloxyhex-5-enyl]-2H-furan-5-one
CID 11846083
(5R)-5-hexyl-3-methylideneoxolan-2-one
CID 12377496
(5S)-3-methylidene-5-octyloxolan-2-one
CID 13466845
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one
CID 24808908
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
CID 24808910

Frequently Asked Questions

What is the IUPAC name of 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one?
The IUPAC name of 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one (CID 54579414) is 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one?
The canonical SMILES for 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one is C=C1CC(CCCCCCCCO[Si](C)(C)C(C)(C)C)OC1=O.
What is the InChIKey of 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one?
The InChIKey is QGHPQZBNILWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-16-15-17(22-18(16)20)13-11-9-7-8-10-12-14-21-23(5,6)19(2,3)4/h17H,1,7-15H2,2-6H3.
What are the key properties of 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one?
5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one has a molecular weight of 340.58 g/mol, XLogP of 5.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 54579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).