[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane

C12H25IOSi — CID 56626008

IUPAC[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCC[C@@](C)(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3/t12-/m0/s1
InChIKeyQNNMQGJWDMVGRA-LBPRGKRZSA-N
MW340.32 g/mol
LogP5.13
Rot. Bonds7

About [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane

[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 56626008) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
PubChem CID56626008
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCC[C@@](C)(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3/t12-/m0/s1
InChIKeyQNNMQGJWDMVGRA-LBPRGKRZSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane (CID 56626008) is [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane is CCCC[C@@](C)(CC=CI)O[Si](C)(C)C.
What is the InChIKey of [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is QNNMQGJWDMVGRA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-6-7-9-12(2,10-8-11-13)14-15(3,4)5/h8,11H,6-7,9-10H2,1-5H3/t12-/m0/s1.
What are the key properties of [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane?
[(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-iodo-4-methyloct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 56626008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).