[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate

C15H24O3Si — CID 11778438

IUPAC[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)=O)C(=O)/C=C/C
InChIInChI=1S/C15H24O3Si/c1-7-9-13(11-19(4,5)6)15(18-12(3)16)14(17)10-8-2/h7-8,10-11,15H,1,9H2,2-6H3/b10-8+,13-11+
InChIKeyCRJBCWXDHCXKJQ-HATNNVTISA-N
MW280.44 g/mol
LogP3.44
Rot. Bonds7

About [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate

[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate (PubChem CID 11778438) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate.

Molecular Properties

Compound Name[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate
PubChem CID11778438
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)=O)C(=O)/C=C/C
InChIInChI=1S/C15H24O3Si/c1-7-9-13(11-19(4,5)6)15(18-12(3)16)14(17)10-8-2/h7-8,10-11,15H,1,9H2,2-6H3/b10-8+,13-11+
InChIKeyCRJBCWXDHCXKJQ-HATNNVTISA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E,8E)-5-[(2-methylpropan-2-yl)oxy]-6-prop-2-enyl-7-trimethylsilylundeca-2,6,8-trien-4-one
CID 9997919
tert-butyl (2Z,4E,8E)-6-[(2-methylpropan-2-yl)oxy]-7-oxo-5-prop-2-enyl-4-trimethylsilyldeca-2,4,8-trienoate
CID 10047782
(2E,6Z)-6-[iodo(trimethylsilyl)methylidene]-5-[(2-methylpropan-2-yl)oxy]nona-2,8-dien-4-one
CID 10387408
(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
CID 10469740
ethyl (E,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enoate
CID 11278469
(2S,4Z)-2-[(1E,4S,6Z,9Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-1,6,9-trienyl]-3,6,7,8-tetrahydro-2H-oxonin-9-one
CID 46238043
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxohept-2-enoate
CID 52920678
ethyl (Z)-2-methylidene-6-oxo-4-trimethylsilyldec-4-enoate
CID 102183504
ethyl (E)-3-methylidene-2-oxo-8-trimethylsilyloct-6-enoate
CID 102360605

Frequently Asked Questions

What is the IUPAC name of [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate?
The IUPAC name of [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate (CID 11778438) is [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate.
What is the SMILES notation for [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate?
The canonical SMILES for [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate is C=CC/C(=C\[Si](C)(C)C)C(OC(C)=O)C(=O)/C=C/C.
What is the InChIKey of [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate?
The InChIKey is CRJBCWXDHCXKJQ-HATNNVTISA-N. The full InChI is InChI=1S/C15H24O3Si/c1-7-9-13(11-19(4,5)6)15(18-12(3)16)14(17)10-8-2/h7-8,10-11,15H,1,9H2,2-6H3/b10-8+,13-11+.
What are the key properties of [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate?
[(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate has a molecular weight of 280.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,7E)-6-oxo-4-(trimethylsilylmethylidene)nona-1,7-dien-5-yl] acetate is sourced from PubChem (CID 11778438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).