5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene

C8H7I — CID 159580103

IUPAC5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
SMILESC=c1ccccc1=CI
InChIInChI=1S/C8H7I/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H2
InChIKeyFKMUZCIQRXZHPO-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.27
Rot. Bonds

About 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene

5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene (PubChem CID 159580103) has the molecular formula C8H7I and a molecular weight of 230.05 g/mol. Its IUPAC name is 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
PubChem CID159580103
Molecular FormulaC8H7I
Molecular Weight230.05 g/mol
Exact Mass229.96
IUPAC Name5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
SMILESC=c1ccccc1=CI
InChIInChI=1S/C8H7I/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H2
InChIKeyFKMUZCIQRXZHPO-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.27
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

(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
lithium (E)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 102416315
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propan-2-ol
CID 134983494
ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 143906186
(Z,5Z)-2-methyl-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-2-amine
CID 89200532
(6Z)-5-methylidene-6-[(Z)-3-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143026657
3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-amine
CID 89198333
methyl (E)-2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-phenylprop-2-enoate
CID 138983109
(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
CID 142154594
(E,3Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-2-[4-(4-phenylphenyl)phenyl]prop-1-en-1-amine
CID 170397767
2-[2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]anilino]-1-phenylethanone
CID 71080227

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene (CID 159580103) is 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene is C=c1ccccc1=CI.
What is the InChIKey of 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene?
The InChIKey is FKMUZCIQRXZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H2.
What are the key properties of 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene?
5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene has a molecular weight of 230.05 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 159580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).