[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane

C14H29IOSi — CID 173135124

IUPAC[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
SMILESCCCCC[C@@H](/C=C/I)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C14H29IOSi/c1-6-7-8-9-13(10-11-15)16-12-14(2,3)17(4)5/h10-11,13,17H,6-9,12H2,1-5H3/b11-10+/t13-/m0/s1
InChIKeyULMVVJFHPQFDGQ-NHAQELONSA-N
MW368.38 g/mol
LogP5.17
Rot. Bonds9

About [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane

[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane (PubChem CID 173135124) has the molecular formula C14H29IOSi and a molecular weight of 368.38 g/mol. Its IUPAC name is [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
PubChem CID173135124
Molecular FormulaC14H29IOSi
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane
SMILESCCCCC[C@@H](/C=C/I)OCC(C)(C)[SiH](C)C
InChIInChI=1S/C14H29IOSi/c1-6-7-8-9-13(10-11-15)16-12-14(2,3)17(4)5/h10-11,13,17H,6-9,12H2,1-5H3/b11-10+/t13-/m0/s1
InChIKeyULMVVJFHPQFDGQ-NHAQELONSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

3-t-Butyldimethylsiloxy-1-iodo-trans-1-octene
CID 10948597
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
CID 11111369
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 10595175
tert-butyl-[(7E)-8-iodo-7-methylocta-1,7-dien-3-yl]oxy-dimethylsilane
CID 72737464
[(Z)-[(2R,6R)-2-[(Z)-2-iodoethenyl]-6-propyloxan-4-ylidene]methyl]-trimethylsilane
CID 135041534
tert-butyl-[(Z)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 12537130
3-t-Butyldimethylsilyloxy-1-iodo-1-octene
CID 53400857
tert-butyl-[(3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 54051876
1-Iodo-3-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 57191506
triethyl-[(E,3S)-1-iodooct-1-en-3-yl]oxysilane
CID 87396355
butyl-[(E,3S)-1-iodooct-1-en-3-yl]oxy-dimethylsilane
CID 87806186
triethyl-[(3S)-1-iodooct-1-en-3-yl]oxysilane
CID 91188143

Frequently Asked Questions

What is the IUPAC name of [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The IUPAC name of [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane (CID 173135124) is [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane.
What is the SMILES notation for [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The canonical SMILES for [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane is CCCCC[C@@H](/C=C/I)OCC(C)(C)[SiH](C)C.
What is the InChIKey of [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
The InChIKey is ULMVVJFHPQFDGQ-NHAQELONSA-N. The full InChI is InChI=1S/C14H29IOSi/c1-6-7-8-9-13(10-11-15)16-12-14(2,3)17(4)5/h10-11,13,17H,6-9,12H2,1-5H3/b11-10+/t13-/m0/s1.
What are the key properties of [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane?
[1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane has a molecular weight of 368.38 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E,3S)-1-iodooct-1-en-3-yl]oxy-2-methylpropan-2-yl]-dimethylsilane is sourced from PubChem (CID 173135124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).