(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one

C15H27IO2Si — CID 10318457

IUPAC(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one
SMILESC=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(C)=O
InChIInChI=1S/C15H27IO2Si/c1-9-10-12(14(16)19(6,7)8)13(11(2)17)18-15(3,4)5/h9,13H,1,10H2,2-8H3/b14-12+
InChIKeyBCWPJZPCRWFJJP-WYMLVPIESA-N
MW394.37 g/mol
LogP4.90
Rot. Bonds6

About (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one

(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one (PubChem CID 10318457) has the molecular formula C15H27IO2Si and a molecular weight of 394.37 g/mol. Its IUPAC name is (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one.

Molecular Properties

Compound Name(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one
PubChem CID10318457
Molecular FormulaC15H27IO2Si
Molecular Weight394.37 g/mol
Exact Mass394.08
IUPAC Name(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one
SMILESC=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(C)=O
InChIInChI=1S/C15H27IO2Si/c1-9-10-12(14(16)19(6,7)8)13(11(2)17)18-15(3,4)5/h9,13H,1,10H2,2-8H3/b14-12+
InChIKeyBCWPJZPCRWFJJP-WYMLVPIESA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.90
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

(5Z)-5-[iodo(trimethylsilyl)methylidene]-4-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
CID 10001478
methyl (3Z)-3-[iodo(trimethylsilyl)methylidene]-2-[(2-methylpropan-2-yl)oxy]hex-5-enoate
CID 10001588
(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 (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one?
The IUPAC name of (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one (CID 10318457) is (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one.
What is the SMILES notation for (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one?
The canonical SMILES for (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one is C=CC/C(=C(/I)[Si](C)(C)C)C(OC(C)(C)C)C(C)=O.
What is the InChIKey of (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one?
The InChIKey is BCWPJZPCRWFJJP-WYMLVPIESA-N. The full InChI is InChI=1S/C15H27IO2Si/c1-9-10-12(14(16)19(6,7)8)13(11(2)17)18-15(3,4)5/h9,13H,1,10H2,2-8H3/b14-12+.
What are the key properties of (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one?
(4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one has a molecular weight of 394.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[iodo(trimethylsilyl)methylidene]-3-[(2-methylpropan-2-yl)oxy]hept-6-en-2-one is sourced from PubChem (CID 10318457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).