5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one

C17H30O4Si — CID 102453291

IUPAC5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one
SMILESC=C(C)C(CCC1(OC)C=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-13(2)14(21-22(7,8)16(3,4)5)9-11-17(19-6)12-10-15(18)20-17/h10,12,14H,1,9,11H2,2-8H3
InChIKeyMHFBZZJCAFTGJC-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.19
Rot. Bonds7

About 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one

5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one (PubChem CID 102453291) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one.

Molecular Properties

Compound Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one
PubChem CID102453291
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Name5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one
SMILESC=C(C)C(CCC1(OC)C=CC(=O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O4Si/c1-13(2)14(21-22(7,8)16(3,4)5)9-11-17(19-6)12-10-15(18)20-17/h10,12,14H,1,9,11H2,2-8H3
InChIKeyMHFBZZJCAFTGJC-UHFFFAOYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
CID 11098627
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
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
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
CID 135073113
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
ethyl (E)-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 138967963

Frequently Asked Questions

What is the IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one?
The IUPAC name of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one (CID 102453291) is 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one.
What is the SMILES notation for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one?
The canonical SMILES for 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one is C=C(C)C(CCC1(OC)C=CC(=O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one?
The InChIKey is MHFBZZJCAFTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-13(2)14(21-22(7,8)16(3,4)5)9-11-17(19-6)12-10-15(18)20-17/h10,12,14H,1,9,11H2,2-8H3.
What are the key properties of 5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one?
5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one has a molecular weight of 326.51 g/mol, XLogP of 4.19, 7 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]oxy-4-methylpent-4-enyl]-5-methoxyfuran-2-one is sourced from PubChem (CID 102453291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).