(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite

C7H9IO — CID 144929888

IUPAC(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
SMILESCC1=CCCC=C1OI
InChIInChI=1S/C7H9IO/c1-6-4-2-3-5-7(6)9-8/h4-5H,2-3H2,1H3
InChIKeyGXWPVHWCHGSVPB-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.98
Rot. Bonds1

About (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite

(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite (PubChem CID 144929888) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite.

Molecular Properties

Compound Name(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
PubChem CID144929888
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Name(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite
SMILESCC1=CCCC=C1OI
InChIInChI=1S/C7H9IO/c1-6-4-2-3-5-7(6)9-8/h4-5H,2-3H2,1H3
InChIKeyGXWPVHWCHGSVPB-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.98
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-ethenoxy-3-methylcyclohexa-1,3-diene
CID 143020941
(6-methylcyclohexa-1,5-dien-1-yl) hydrogen carbonate
CID 173264041
diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
CID 102268062
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
ethane;1-methyl-2-[4-(6-methylcyclohexa-1,5-dien-1-yl)oxybutoxy]benzene
CID 172627121
N,N,6-trimethylcyclohexa-1,5-dien-1-amine
CID 91143349
5,6-dimethyl-2,3-dihydropyridine;ethane
CID 142828316
ethane;2,7,7-trimethyl-4-(6-methylcyclohexa-1,5-dien-1-yl)oxy-6,8-dihydro-5H-quinazoline
CID 163248639
2-(2-fluoropropan-2-yl)-3-methylcyclohexa-1,3-diene
CID 142017090
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
N-methyl-1-(6-methylcyclohexa-1,5-dien-1-yl)methanamine
CID 142218090
2-(chloromethyl)-3-methoxycyclohexa-1,3-diene
CID 142283424

Frequently Asked Questions

What is the IUPAC name of (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite?
The IUPAC name of (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite (CID 144929888) is (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite.
What is the SMILES notation for (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite?
The canonical SMILES for (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite is CC1=CCCC=C1OI.
What is the InChIKey of (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite?
The InChIKey is GXWPVHWCHGSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO/c1-6-4-2-3-5-7(6)9-8/h4-5H,2-3H2,1H3.
What are the key properties of (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite?
(6-methylcyclohexa-1,5-dien-1-yl) hypoiodite has a molecular weight of 236.05 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohexa-1,5-dien-1-yl) hypoiodite is sourced from PubChem (CID 144929888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).