cyclopenta-2,4-dien-1-ylidenemethyl formate

C7H6O2 — CID 174902385

IUPACcyclopenta-2,4-dien-1-ylidenemethyl formate
SMILESO=COC=C1C=CC=C1
InChIInChI=1S/C7H6O2/c8-6-9-5-7-3-1-2-4-7/h1-6H
InChIKeyHWZSILWPOOEEBJ-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.17
Rot. Bonds2

About cyclopenta-2,4-dien-1-ylidenemethyl formate

cyclopenta-2,4-dien-1-ylidenemethyl formate (PubChem CID 174902385) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidenemethyl formate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidenemethyl formate
PubChem CID174902385
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Namecyclopenta-2,4-dien-1-ylidenemethyl formate
SMILESO=COC=C1C=CC=C1
InChIInChI=1S/C7H6O2/c8-6-9-5-7-3-1-2-4-7/h1-6H
InChIKeyHWZSILWPOOEEBJ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formyl formate
CID 90024423
formyl formate;hydrate
CID 158985007
[(1Z,3Z)-4-formyloxybuta-1,3-dienyl] formate
CID 87622234
CID 5377441
CID 5377441
formyl formate;naphthalene;hydrobromide
CID 174587967
cyclopenta-2,4-dien-1-ylidenemethanamine fluoride
CID 139243613
CID 140707458
CID 140707458
benzene;ethenyl formate
CID 160928182
5-(1-tritioethylidene)cyclopenta-1,3-diene
CID 58905763
N-(cyclopenta-2,4-dien-1-ylidenemethyl)hydroxylamine fluoride
CID 139243614
5-diazocyclohexa-1,3-diene;methyl formate
CID 160882104
1,2-difluorobenzene;ethenyl formate
CID 175281370

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl formate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl formate (CID 174902385) is cyclopenta-2,4-dien-1-ylidenemethyl formate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidenemethyl formate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidenemethyl formate is O=COC=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidenemethyl formate?
The InChIKey is HWZSILWPOOEEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c8-6-9-5-7-3-1-2-4-7/h1-6H.
What are the key properties of cyclopenta-2,4-dien-1-ylidenemethyl formate?
cyclopenta-2,4-dien-1-ylidenemethyl formate has a molecular weight of 122.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidenemethyl formate is sourced from PubChem (CID 174902385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).