1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene

C9H10O — CID 122229095

IUPAC1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene
SMILESC=C=COCC1=CC=CC1
InChIInChI=1S/C9H10O/c1-2-7-10-8-9-5-3-4-6-9/h3-5,7H,1,6,8H2
InChIKeyMXYMHCFCMUOYFX-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.19
Rot. Bonds3

About 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene

1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene (PubChem CID 122229095) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene
PubChem CID122229095
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene
SMILESC=C=COCC1=CC=CC1
InChIInChI=1S/C9H10O/c1-2-7-10-8-9-5-3-4-6-9/h3-5,7H,1,6,8H2
InChIKeyMXYMHCFCMUOYFX-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene (CID 122229095) is 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene is C=C=COCC1=CC=CC1.
What is the InChIKey of 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene?
The InChIKey is MXYMHCFCMUOYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-7-10-8-9-5-3-4-6-9/h3-5,7H,1,6,8H2.
What are the key properties of 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene?
1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene has a molecular weight of 134.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propa-1,2-dienoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 122229095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).