1-(ethenoxymethyl)cyclopenta-1,3-diene

C8H10O — CID 12518076

IUPAC1-(ethenoxymethyl)cyclopenta-1,3-diene
SMILESC=COCC1=CC=CC1
InChIInChI=1S/C8H10O/c1-2-9-7-8-5-3-4-6-8/h2-5H,1,6-7H2
InChIKeyHYITYKZUUMOIOL-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.03
Rot. Bonds3

About 1-(ethenoxymethyl)cyclopenta-1,3-diene

1-(ethenoxymethyl)cyclopenta-1,3-diene (PubChem CID 12518076) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(ethenoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(ethenoxymethyl)cyclopenta-1,3-diene
PubChem CID12518076
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-(ethenoxymethyl)cyclopenta-1,3-diene
SMILESC=COCC1=CC=CC1
InChIInChI=1S/C8H10O/c1-2-9-7-8-5-3-4-6-8/h2-5H,1,6-7H2
InChIKeyHYITYKZUUMOIOL-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19981952
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CID 21095302
CID 21095302
CID 67724778
CID 67724778
CID 12045378
CID 12045378
CID 14932250
CID 14932250
CID 71358935
CID 71358935
CID 129670490
CID 129670490
CID 129692361
CID 129692361
CID 129737314
CID 129737314

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(ethenoxymethyl)cyclopenta-1,3-diene (CID 12518076) is 1-(ethenoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(ethenoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(ethenoxymethyl)cyclopenta-1,3-diene is C=COCC1=CC=CC1.
What is the InChIKey of 1-(ethenoxymethyl)cyclopenta-1,3-diene?
The InChIKey is HYITYKZUUMOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-9-7-8-5-3-4-6-8/h2-5H,1,6-7H2.
What are the key properties of 1-(ethenoxymethyl)cyclopenta-1,3-diene?
1-(ethenoxymethyl)cyclopenta-1,3-diene has a molecular weight of 122.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12518076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).