[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite

C16H25IO — CID 162524309

IUPAC[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite
SMILESCCC(C)(C)CC(C)(CC)c1ccc(OI)cc1
InChIInChI=1S/C16H25IO/c1-6-15(3,4)12-16(5,7-2)13-8-10-14(18-17)11-9-13/h8-11H,6-7,12H2,1-5H3
InChIKeyHNDNDXOJUPNHEL-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.91
Rot. Bonds6

About [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite

[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite (PubChem CID 162524309) has the molecular formula C16H25IO and a molecular weight of 360.28 g/mol. Its IUPAC name is [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite.

Molecular Properties

Compound Name[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite
PubChem CID162524309
Molecular FormulaC16H25IO
Molecular Weight360.28 g/mol
Exact Mass360.10
IUPAC Name[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite
SMILESCCC(C)(C)CC(C)(CC)c1ccc(OI)cc1
InChIInChI=1S/C16H25IO/c1-6-15(3,4)12-16(5,7-2)13-8-10-14(18-17)11-9-13/h8-11H,6-7,12H2,1-5H3
InChIKeyHNDNDXOJUPNHEL-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
1-iodo-4-(3-methylpentan-3-yl)benzene
CID 170407993
1-phenoxy-4-(2,4,4-trimethylhexan-2-yl)benzene
CID 123620932
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
CID 146621194
4-(3-methylpentan-3-yl)benzenethiol
CID 129033225
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
1-ethyl-4-(2,4,4-trimethylhexan-2-yl)benzene;pentane;vanadium
CID 163369923
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
1-(1,1-dibromopropoxy)-4-[2-[4-(1,1-dibromopropoxy)phenyl]propan-2-yl]benzene
CID 67068398
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
CID 57321811

Frequently Asked Questions

What is the IUPAC name of [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite?
The IUPAC name of [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite (CID 162524309) is [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite.
What is the SMILES notation for [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite?
The canonical SMILES for [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite is CCC(C)(C)CC(C)(CC)c1ccc(OI)cc1.
What is the InChIKey of [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite?
The InChIKey is HNDNDXOJUPNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IO/c1-6-15(3,4)12-16(5,7-2)13-8-10-14(18-17)11-9-13/h8-11H,6-7,12H2,1-5H3.
What are the key properties of [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite?
[4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite has a molecular weight of 360.28 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5,5-trimethylheptan-3-yl)phenyl] hypoiodite is sourced from PubChem (CID 162524309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).