6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

C19H30O5Si — CID 20653344

IUPAC6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESCC(=O)/C=C/CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C19H30O5Si/c1-15(8-6-7-9-16(2)20)18-12-17(13-19(21)24-18)23-14-22-10-11-25(3,4)5/h7,9,12-13,15H,6,8,10-11,14H2,1-5H3/b9-7+
InChIKeyVAVVAHZCLNIDLP-VQHVLOKHSA-N
MW366.53 g/mol
LogP4.36
Rot. Bonds11

About 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one

6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (PubChem CID 20653344) has the molecular formula C19H30O5Si and a molecular weight of 366.53 g/mol. Its IUPAC name is 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.

Molecular Properties

Compound Name6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
PubChem CID20653344
Molecular FormulaC19H30O5Si
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
SMILESCC(=O)/C=C/CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1
InChIInChI=1S/C19H30O5Si/c1-15(8-6-7-9-16(2)20)18-12-17(13-19(21)24-18)23-14-22-10-11-25(3,4)5/h7,9,12-13,15H,6,8,10-11,14H2,1-5H3/b9-7+
InChIKeyVAVVAHZCLNIDLP-VQHVLOKHSA-N
XLogP4.36
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z,4E,6R,7S)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6-methylnona-2,4-dienoate
CID 15981705
6-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011565
Methyl 7-hydroxy-9-(methoxymethoxy)-6,8-dimethyl-2,4-nonadienoate, (E,E)-, TBDMS derivative
CID 5364267
6-(5,5-Dimethoxypentan-2-yl)-4-(2-trimethylsilylethoxymethoxy)pyran-2-one
CID 15463232
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
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
(E,6R)-6-[4-[[tert-butyl(dimethyl)silyl]oxymethoxy]-6-oxopyran-2-yl]hept-2-enoic acid
CID 71497613

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The IUPAC name of 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one (CID 20653344) is 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one.
What is the SMILES notation for 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The canonical SMILES for 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is CC(=O)/C=C/CCC(C)c1cc(OCOCC[Si](C)(C)C)cc(=O)o1.
What is the InChIKey of 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
The InChIKey is VAVVAHZCLNIDLP-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H30O5Si/c1-15(8-6-7-9-16(2)20)18-12-17(13-19(21)24-18)23-14-22-10-11-25(3,4)5/h7,9,12-13,15H,6,8,10-11,14H2,1-5H3/b9-7+.
What are the key properties of 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one?
6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one has a molecular weight of 366.53 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-7-oxooct-5-en-2-yl]-4-(2-trimethylsilylethoxymethoxy)pyran-2-one is sourced from PubChem (CID 20653344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).