[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane

C12H23IO2Si — CID 24874275

IUPAC[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C/CCOC1CCCCO1
InChIInChI=1S/C12H23IO2Si/c1-16(2,3)11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyCVKZWDWZVMJQJS-YRNVUSSQSA-N
MW354.30 g/mol
LogP4.12
Rot. Bonds5

About [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane

[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane (PubChem CID 24874275) has the molecular formula C12H23IO2Si and a molecular weight of 354.30 g/mol. Its IUPAC name is [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
PubChem CID24874275
Molecular FormulaC12H23IO2Si
Molecular Weight354.30 g/mol
Exact Mass354.05
IUPAC Name[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C/CCOC1CCCCO1
InChIInChI=1S/C12H23IO2Si/c1-16(2,3)11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7+
InChIKeyCVKZWDWZVMJQJS-YRNVUSSQSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
The IUPAC name of [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane (CID 24874275) is [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane is C[Si](C)(C)/C(I)=C/CCOC1CCCCO1.
What is the InChIKey of [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
The InChIKey is CVKZWDWZVMJQJS-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H23IO2Si/c1-16(2,3)11(13)7-6-10-15-12-8-4-5-9-14-12/h7,12H,4-6,8-10H2,1-3H3/b11-7+.
What are the key properties of [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane?
[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane has a molecular weight of 354.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane is sourced from PubChem (CID 24874275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).