5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one

C14H26O4Si — CID 102217037

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one
SMILESCOC1(CCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)17-11-7-9-14(16-4)10-8-12(15)18-14/h8,10H,7,9,11H2,1-6H3
InChIKeyXNSICMIRPZYPJH-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds6

About 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one

5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one (PubChem CID 102217037) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one
PubChem CID102217037
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one
SMILESCOC1(CCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1
InChIInChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)17-11-7-9-14(16-4)10-8-12(15)18-14/h8,10H,7,9,11H2,1-6H3
InChIKeyXNSICMIRPZYPJH-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
CID 11098627
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
(S,e)-ethyl 6-(t-butyldimethylsilyloxy)hept-2-enoate
CID 129843282
ethyl (E)-3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135014566
methyl (E)-4-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 146166569
2,2-Dimethyl-1,3-dioxolane-4-acrylic acid, 5-(2-t-butyldimethylsilyloxy)propyl-, methyl ester
CID 5368157
ethyl (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoate
CID 89996375
ethyl (4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123555180
ethyl (4R,7R,E)-7-((tert-butyldimethylsilyl)oxy)-4-(methoxymethoxy)oct-2-enoate
CID 123856196

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one (CID 102217037) is 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one is COC1(CCCO[Si](C)(C)C(C)(C)C)C=CC(=O)O1.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one?
The InChIKey is XNSICMIRPZYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-13(2,3)19(5,6)17-11-7-9-14(16-4)10-8-12(15)18-14/h8,10H,7,9,11H2,1-6H3.
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one has a molecular weight of 286.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 102217037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).