(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one

C16H29IO2Si — CID 10001478

IUPAC(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
SMILESC=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(=O)CC
InChIInChI=1S/C16H29IO2Si/c1-9-11-12(15(17)20(6,7)8)14(13(18)10-2)19-16(3,4)5/h9,14H,1,10-11H2,2-8H3/b15-12+
InChIKeyLQPUKJMMXRIKMZ-NTCAYCPXSA-N
MW408.40 g/mol
LogP5.29
Rot. Bonds7

About (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one

(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one (PubChem CID 10001478) has the molecular formula C16H29IO2Si and a molecular weight of 408.40 g/mol. Its IUPAC name is (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one.

Molecular Properties

Compound Name(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
PubChem CID10001478
Molecular FormulaC16H29IO2Si
Molecular Weight408.40 g/mol
Exact Mass408.10
IUPAC Name(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
SMILESC=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(=O)CC
InChIInChI=1S/C16H29IO2Si/c1-9-11-12(15(17)20(6,7)8)14(13(18)10-2)19-16(3,4)5/h9,14H,1,10-11H2,2-8H3/b15-12+
InChIKeyLQPUKJMMXRIKMZ-NTCAYCPXSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one
CID 10318457
(2E,6Z)-6-[iodo(trimethylsilyl)methylidene]-5-[(2-methylpropan-2-yl)oxy]nona-2,8-dien-4-one
CID 10387408

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one?
The IUPAC name of (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one (CID 10001478) is (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one.
What is the SMILES notation for (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one?
The canonical SMILES for (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one is C=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(=O)CC.
What is the InChIKey of (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one?
The InChIKey is LQPUKJMMXRIKMZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H29IO2Si/c1-9-11-12(15(17)20(6,7)8)14(13(18)10-2)19-16(3,4)5/h9,14H,1,10-11H2,2-8H3/b15-12+.
What are the key properties of (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one?
(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one has a molecular weight of 408.40 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one is sourced from PubChem (CID 10001478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).