[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane

C14H27IOSi — CID 129404613

IUPAC[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
SMILESCCCCC1([C@H](/C=C/I)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H27IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+/t13-/m0/s1
InChIKeyAXLKRCINKYJVOZ-RPHSKFLZSA-N
MW366.36 g/mol
LogP5.52
Rot. Bonds7

About [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane

[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane (PubChem CID 129404613) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
PubChem CID129404613
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane
SMILESCCCCC1([C@H](/C=C/I)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H27IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+/t13-/m0/s1
InChIKeyAXLKRCINKYJVOZ-RPHSKFLZSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.52
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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Related Compounds

1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 54306538
(E)-1-(1-butylcyclobutyl)-3-iodoprop-2-en-1-ol
CID 20565049
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
4-(1-butylcyclobutyl)-4-[tert-butyl(dimethyl)silyl]oxybut-2-yn-1-ol
CID 66993804
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
CID 152749210
decan-5-yloxy(trimethyl)silane
CID 553210
[(Z,1R)-1-cyclohexyl-3-iodoprop-2-enoxy]-trimethylsilane
CID 22822227
trimethyl-[(E,6S,9R)-9-trimethylsilyloxyoctadec-7-en-6-yl]oxysilane
CID 10025621
trimethyl-[(E,1R,4S)-1-nonyl-4-trimethylsilyloxyundec-2-enoxy]silane
CID 10027087
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane?
The IUPAC name of [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane (CID 129404613) is [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane?
The canonical SMILES for [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane is CCCCC1([C@H](/C=C/I)O[Si](C)(C)C)CCC1.
What is the InChIKey of [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane?
The InChIKey is AXLKRCINKYJVOZ-RPHSKFLZSA-N. The full InChI is InChI=1S/C14H27IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h8,12-13H,5-7,9-11H2,1-4H3/b12-8+/t13-/m0/s1.
What are the key properties of [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane?
[(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1S)-1-(1-butylcyclobutyl)-3-iodoprop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 129404613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).