5-(1-tritioethylidene)cyclopenta-1,3-diene

C7H8 — CID 58905763

IUPAC5-(1-tritioethylidene)cyclopenta-1,3-diene
SMILES[3H]C(C)=C1C=CC=C1
InChIInChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-6H,1H3/i2T
InChIKeyACGLURQVVOLIOD-FUPOQFPWSA-N
MW94.15 g/mol
LogP2.06
Rot. Bonds

About 5-(1-tritioethylidene)cyclopenta-1,3-diene

5-(1-tritioethylidene)cyclopenta-1,3-diene (PubChem CID 58905763) has the molecular formula C7H8 and a molecular weight of 94.15 g/mol. Its IUPAC name is 5-(1-tritioethylidene)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-tritioethylidene)cyclopenta-1,3-diene
PubChem CID58905763
Molecular FormulaC7H8
Molecular Weight94.15 g/mol
Exact Mass94.07
IUPAC Name5-(1-tritioethylidene)cyclopenta-1,3-diene
SMILES[3H]C(C)=C1C=CC=C1
InChIInChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-6H,1H3/i2T
InChIKeyACGLURQVVOLIOD-FUPOQFPWSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopenta-2,4-dien-1-ylidenemethanamine fluoride
CID 139243613
cyclopenta-2,4-dien-1-ylidenemethanol fluoride
CID 139243616
N-(cyclopenta-2,4-dien-1-ylidenemethyl)hydroxylamine fluoride
CID 139243614
cyclopenta-2,4-dien-1-ylidenemethyl formate
CID 174902385
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-1,1,3,3-tetramethylcyclohexane
CID 90892008
4-(cyclopenta-2,4-dien-1-ylidenemethyl)-5-methyl-1H-imidazole
CID 25165378
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
cyclopenta-2,4-dien-1-ylidene-iodo-diphenyl-λ5-phosphane
CID 174339767
(E)-4-(3-nitrocyclohepta-1,2,4,6-tetraen-1-yl)but-3-en-2-one
CID 143013964
(3Z,5Z)-1,2,3,4-tetramethylcycloocta-1,3,5,7-tetraene
CID 173070981
1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
CID 172558213
CID 5377441
CID 5377441

Frequently Asked Questions

What is the IUPAC name of 5-(1-tritioethylidene)cyclopenta-1,3-diene?
The IUPAC name of 5-(1-tritioethylidene)cyclopenta-1,3-diene (CID 58905763) is 5-(1-tritioethylidene)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-tritioethylidene)cyclopenta-1,3-diene?
The canonical SMILES for 5-(1-tritioethylidene)cyclopenta-1,3-diene is [3H]C(C)=C1C=CC=C1.
What is the InChIKey of 5-(1-tritioethylidene)cyclopenta-1,3-diene?
The InChIKey is ACGLURQVVOLIOD-FUPOQFPWSA-N. The full InChI is InChI=1S/C7H8/c1-2-7-5-3-4-6-7/h2-6H,1H3/i2T.
What are the key properties of 5-(1-tritioethylidene)cyclopenta-1,3-diene?
5-(1-tritioethylidene)cyclopenta-1,3-diene has a molecular weight of 94.15 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tritioethylidene)cyclopenta-1,3-diene is sourced from PubChem (CID 58905763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).