[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate

C15H29IO2Si — CID 138977409

IUPAC[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate
SMILESCCCC[C@H](/C=C(\I)[Si](CC)(CC)CC)OC(C)=O
InChIInChI=1S/C15H29IO2Si/c1-6-10-11-14(18-13(5)17)12-15(16)19(7-2,8-3)9-4/h12,14H,6-11H2,1-5H3/b15-12+/t14-/m1/s1
InChIKeyFPUAJQMHIDYNDP-FQZGENGWSA-N
MW396.39 g/mol
LogP5.47
Rot. Bonds9

About [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate

[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate (PubChem CID 138977409) has the molecular formula C15H29IO2Si and a molecular weight of 396.39 g/mol. Its IUPAC name is [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate.

Molecular Properties

Compound Name[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate
PubChem CID138977409
Molecular FormulaC15H29IO2Si
Molecular Weight396.39 g/mol
Exact Mass396.10
IUPAC Name[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate
SMILESCCCC[C@H](/C=C(\I)[Si](CC)(CC)CC)OC(C)=O
InChIInChI=1S/C15H29IO2Si/c1-6-10-11-14(18-13(5)17)12-15(16)19(7-2,8-3)9-4/h12,14H,6-11H2,1-5H3/b15-12+/t14-/m1/s1
InChIKeyFPUAJQMHIDYNDP-FQZGENGWSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 55.47
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'}

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Related Compounds

9-Trimethylsilylnona-1,2-dien-8-yn-4-yl acetate
CID 141310988
[(1Z)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
CID 11546028
[(E)-1-triethylsilylhept-1-en-3-yl] acetate
CID 101544363
[(E)-1-trimethylsilylhept-1-en-3-yl] acetate
CID 101544364
[(E)-1-[tert-butyl(dimethyl)silyl]hept-1-en-3-yl] acetate
CID 101544366
[(E)-1-triethylsilylhex-1-en-3-yl] acetate
CID 101544372
[(1E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-iodo-2-methylpenta-1,4-dien-3-yl] acetate
CID 101772204

Frequently Asked Questions

What is the IUPAC name of [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate?
The IUPAC name of [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate (CID 138977409) is [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate.
What is the SMILES notation for [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate?
The canonical SMILES for [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate is CCCC[C@H](/C=C(\I)[Si](CC)(CC)CC)OC(C)=O.
What is the InChIKey of [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate?
The InChIKey is FPUAJQMHIDYNDP-FQZGENGWSA-N. The full InChI is InChI=1S/C15H29IO2Si/c1-6-10-11-14(18-13(5)17)12-15(16)19(7-2,8-3)9-4/h12,14H,6-11H2,1-5H3/b15-12+/t14-/m1/s1.
What are the key properties of [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate?
[(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate has a molecular weight of 396.39 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3R)-1-iodo-1-triethylsilylhept-1-en-3-yl] acetate is sourced from PubChem (CID 138977409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).