bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide

C6H5I — CID 174258467

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
SMILESI.c1cc2ccc1-2
InChIInChI=1S/C6H4.HI/c1-2-6-4-3-5(1)6;/h1-4H;1H
InChIKeyBAQKCANGJLYMRS-UHFFFAOYSA-N
MW204.01 g/mol
LogP2.29
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide

bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide (PubChem CID 174258467) has the molecular formula C6H5I and a molecular weight of 204.01 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
PubChem CID174258467
Molecular FormulaC6H5I
Molecular Weight204.01 g/mol
Exact Mass203.94
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide
SMILESI.c1cc2ccc1-2
InChIInChI=1S/C6H4.HI/c1-2-6-4-3-5(1)6;/h1-4H;1H
InChIKeyBAQKCANGJLYMRS-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),2(90),3,5(89),6(88),7,9(87),10(86),11,13(85),14(84),15,17(83),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),30(76),31,33(75),34,36,38,40,42,44,46,48,50,52,54,56,58,61,63,65,67,69,71,73-pentatetracontaene
CID 123382186
bicyclo[2.2.0]hexa-1,3,5-triene;methanol;hydroiodide
CID 174565915
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,1'-biphenyl;hydroiodide
CID 66586334
CID 23585944
CID 23585944
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
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4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
[4-(4-azaniumylphenyl)phenyl]azanium
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nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone
CID 177494118
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
bicyclo[2.2.0]hexa-1,3,5-triene;propanal;hydroiodide
CID 174444580
6-[2,3,4-tri(azulen-6-yl)cyclobuta-1,3-dien-1-yl]azulene
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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide (CID 174258467) is bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide is I.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
The InChIKey is BAQKCANGJLYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.HI/c1-2-6-4-3-5(1)6;/h1-4H;1H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide?
bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide has a molecular weight of 204.01 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;hydroiodide is sourced from PubChem (CID 174258467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).