[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate

C15H27IO3Si — CID 11546028

IUPAC[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)/C(C)=C\I
InChIInChI=1S/C15H27IO3Si/c1-11(9-16)14(19-13(3)17)12(2)10-18-20(7,8)15(4,5)6/h9,14H,2,10H2,1,3-8H3/b11-9-
InChIKeySYQMSILRFBGUEE-LUAWRHEFSA-N
MW410.37 g/mol
LogP4.83
Rot. Bonds6

About [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate

[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate (PubChem CID 11546028) has the molecular formula C15H27IO3Si and a molecular weight of 410.37 g/mol. Its IUPAC name is [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate.

Molecular Properties

Compound Name[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
PubChem CID11546028
Molecular FormulaC15H27IO3Si
Molecular Weight410.37 g/mol
Exact Mass410.08
IUPAC Name[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)/C(C)=C\I
InChIInChI=1S/C15H27IO3Si/c1-11(9-16)14(19-13(3)17)12(2)10-18-20(7,8)15(4,5)6/h9,14H,2,10H2,1,3-8H3/b11-9-
InChIKeySYQMSILRFBGUEE-LUAWRHEFSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637853
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 46854982
[1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 135076905
[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate
CID 138977409
methyl (2Z)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637852
ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87639194
Methyl 2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 173125119
Ethyl 2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 173125425
[(E,2E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6-iodohept-5-enyl] acetate
CID 11156200
[(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 11448684
[(E)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodo-4-methylpent-4-en-2-yl] acetate
CID 14378824

Frequently Asked Questions

What is the IUPAC name of [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate?
The IUPAC name of [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate (CID 11546028) is [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate.
What is the SMILES notation for [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate?
The canonical SMILES for [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate is C=C(CO[Si](C)(C)C(C)(C)C)C(OC(C)=O)/C(C)=C\I.
What is the InChIKey of [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate?
The InChIKey is SYQMSILRFBGUEE-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H27IO3Si/c1-11(9-16)14(19-13(3)17)12(2)10-18-20(7,8)15(4,5)6/h9,14H,2,10H2,1,3-8H3/b11-9-.
What are the key properties of [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate?
[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate has a molecular weight of 410.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate is sourced from PubChem (CID 11546028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).