[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite

C12H19IO — CID 146622902

IUPAC[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
SMILESCC(C)C1=CCCC(C(C)C)=C1OI
InChIInChI=1S/C12H19IO/c1-8(2)10-6-5-7-11(9(3)4)12(10)14-13/h6,8-9H,5,7H2,1-4H3
InChIKeyLOXQFGYMLRFBSG-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.64
Rot. Bonds3

About [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite

[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite (PubChem CID 146622902) has the molecular formula C12H19IO and a molecular weight of 306.19 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
PubChem CID146622902
Molecular FormulaC12H19IO
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite
SMILESCC(C)C1=CCCC(C(C)C)=C1OI
InChIInChI=1S/C12H19IO/c1-8(2)10-6-5-7-11(9(3)4)12(10)14-13/h6,8-9H,5,7H2,1-4H3
InChIKeyLOXQFGYMLRFBSG-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.64
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

2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
1-[2-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]oxyethyl]-3-[2-[2,6-di(propan-2-yl)phenoxy]ethyl]imidazol-3-ium
CID 89412815
3-fluoro-2-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 145369202
8-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene
CID 101316624
(1E,3E,7Z)-4,8-di(propan-2-yl)cycloocta-1,3,7-trien-1-amine
CID 146366991
4-propan-2-yl-1,2,5,8-tetrahydronaphthalene
CID 101316499
4-propan-2-yl-2,9-dihydro-1H-carbazole
CID 166885158
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
1-propan-2-yl-3,4-dihydrodibenzofuran
CID 144612953
1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
6-methoxy-5-propan-2-yl-3,4-dihydropyridine
CID 171832855

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite?
The IUPAC name of [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite (CID 146622902) is [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite.
What is the SMILES notation for [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite?
The canonical SMILES for [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite is CC(C)C1=CCCC(C(C)C)=C1OI.
What is the InChIKey of [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite?
The InChIKey is LOXQFGYMLRFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO/c1-8(2)10-6-5-7-11(9(3)4)12(10)14-13/h6,8-9H,5,7H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite?
[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite has a molecular weight of 306.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl] hypoiodite is sourced from PubChem (CID 146622902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).