(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione

C26H38O6Si — CID 101377042

IUPAC(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
SMILESC=C1OC(=O)C(C(=O)[C@H](C)C[C@H](C)C(=O)/C=C(\C=C\C=C\C)O[Si](C)(C)C(C)(C)C)=C1OC
InChIInChI=1S/C26H38O6Si/c1-11-12-13-14-20(32-33(9,10)26(5,6)7)16-21(27)17(2)15-18(3)23(28)22-24(30-8)19(4)31-25(22)29/h11-14,16-18H,4,15H2,1-3,5-10H3/b12-11+,14-13+,20-16+/t17-,18+/m0/s1
InChIKeyWFPFNGZRPCVBKO-OPPFYHCMSA-N
MW474.67 g/mol
LogP5.80
Rot. Bonds11

About (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione

(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione (PubChem CID 101377042) has the molecular formula C26H38O6Si and a molecular weight of 474.67 g/mol. Its IUPAC name is (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione.

Molecular Properties

Compound Name(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
PubChem CID101377042
Molecular FormulaC26H38O6Si
Molecular Weight474.67 g/mol
Exact Mass474.24
IUPAC Name(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione
SMILESC=C1OC(=O)C(C(=O)[C@H](C)C[C@H](C)C(=O)/C=C(\C=C\C=C\C)O[Si](C)(C)C(C)(C)C)=C1OC
InChIInChI=1S/C26H38O6Si/c1-11-12-13-14-20(32-33(9,10)26(5,6)7)16-21(27)17(2)15-18(3)23(28)22-24(30-8)19(4)31-25(22)29/h11-14,16-18H,4,15H2,1-3,5-10H3/b12-11+,14-13+,20-16+/t17-,18+/m0/s1
InChIKeyWFPFNGZRPCVBKO-OPPFYHCMSA-N
XLogP5.80
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione?
The IUPAC name of (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione (CID 101377042) is (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione.
What is the SMILES notation for (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione?
The canonical SMILES for (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione is C=C1OC(=O)C(C(=O)[C@H](C)C[C@H](C)C(=O)/C=C(\C=C\C=C\C)O[Si](C)(C)C(C)(C)C)=C1OC.
What is the InChIKey of (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione?
The InChIKey is WFPFNGZRPCVBKO-OPPFYHCMSA-N. The full InChI is InChI=1S/C26H38O6Si/c1-11-12-13-14-20(32-33(9,10)26(5,6)7)16-21(27)17(2)15-18(3)23(28)22-24(30-8)19(4)31-25(22)29/h11-14,16-18H,4,15H2,1-3,5-10H3/b12-11+,14-13+,20-16+/t17-,18+/m0/s1.
What are the key properties of (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione?
(2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione has a molecular weight of 474.67 g/mol, XLogP of 5.80, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6E,8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-2,4-dimethyldodeca-6,8,10-triene-1,5-dione is sourced from PubChem (CID 101377042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).