[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite

C10H15IOS — CID 178021325

IUPAC[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite
SMILESC=C(/C=C/C1CCCCC1)OSI
InChIInChI=1S/C10H15IOS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+
InChIKeyITBFXBJLADTUTM-BQYQJAHWSA-N
MW310.20 g/mol
LogP4.65
Rot. Bonds4

About [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite

[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite (PubChem CID 178021325) has the molecular formula C10H15IOS and a molecular weight of 310.20 g/mol. Its IUPAC name is [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite.

Molecular Properties

Compound Name[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite
PubChem CID178021325
Molecular FormulaC10H15IOS
Molecular Weight310.20 g/mol
Exact Mass309.99
IUPAC Name[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite
SMILESC=C(/C=C/C1CCCCC1)OSI
InChIInChI=1S/C10H15IOS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+
InChIKeyITBFXBJLADTUTM-BQYQJAHWSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1E)-3-chlorobuta-1,3-dienyl]cyclohexane
CID 11263757
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
3-cyclohexylprop-2-enamide
CID 54292987
2-iodoethenylcyclohexane
CID 71361827
prop-1-enylcyclododecane
CID 139760926
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001
(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
CID 138512244
3-(trifluoromethyl)buta-1,3-dienylcyclopropane
CID 123524429
(4-chlorophenyl) (Z)-3-cyclohexylprop-2-enoate
CID 102524057
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite?
The IUPAC name of [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite (CID 178021325) is [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite.
What is the SMILES notation for [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite?
The canonical SMILES for [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite is C=C(/C=C/C1CCCCC1)OSI.
What is the InChIKey of [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite?
The InChIKey is ITBFXBJLADTUTM-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15IOS/c1-9(12-13-11)7-8-10-5-3-2-4-6-10/h7-8,10H,1-6H2/b8-7+.
What are the key properties of [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite?
[(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite has a molecular weight of 310.20 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-cyclohexylbuta-1,3-dien-2-yl]oxy thiohypoiodite is sourced from PubChem (CID 178021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).