6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

C18H32O6Si — CID 15463232

IUPAC6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESCOC(CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1)OC
InChIInChI=1S/C18H32O6Si/c1-14(7-8-18(20-2)21-3)16-11-15(12-17(19)24-16)23-13-22-9-10-25(4,5)6/h11-12,14,18H,7-10,13H2,1-6H3
InChIKeySQZBOVIXFOOACV-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.83
Rot. Bonds12

About 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (PubChem CID 15463232) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.

Molecular Properties

Compound Name6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
PubChem CID15463232
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESCOC(CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1)OC
InChIInChI=1S/C18H32O6Si/c1-14(7-8-18(20-2)21-3)16-11-15(12-17(19)24-16)23-13-22-9-10-25(4,5)6/h11-12,14,18H,7-10,13H2,1-6H3
InChIKeySQZBOVIXFOOACV-UHFFFAOYSA-N
XLogP3.83
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E,4E,6E,8S,9R,10S,11S)-9-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-11-(oxan-2-yloxy)dodeca-2,4,6-trienoate
CID 14081619
ethyl (E,4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)hept-2-enoate
CID 134866147
ethyl (E)-6-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]hept-2-enoate
CID 15463233
6-Pent-4-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
CID 15551236
4-[6-Oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]pentanal
CID 15551237
6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
CID 20653344
Ethyl 6-[6-oxo-4-(2-trimethylsilylethoxymethoxy)pyran-2-yl]hept-2-enoate
CID 54031107
6-Hex-5-en-2-yl-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
CID 140680033
methyl (2Z,4E,6R,9S)-10-(1-ethoxyethoxy)-3,9-dimethyl-6-tri(propan-2-yl)silyloxydeca-2,4-dienoate
CID 25213351
6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one
CID 71497612

Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The IUPAC name of 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (CID 15463232) is 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.
What is the SMILES notation for 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The canonical SMILES for 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is COC(CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1)OC.
What is the InChIKey of 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The InChIKey is SQZBOVIXFOOACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-14(7-8-18(20-2)21-3)16-11-15(12-17(19)24-16)23-13-22-9-10-25(4,5)6/h11-12,14,18H,7-10,13H2,1-6H3.
What are the key properties of 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one has a molecular weight of 372.53 g/mol, XLogP of 3.83, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is sourced from PubChem (CID 15463232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).