1-(2-ethenoxyethyl)cyclopenta-1,3-diene

C9H12O — CID 90224031

IUPAC1-(2-ethenoxyethyl)cyclopenta-1,3-diene
SMILESC=COCCC1=CC=CC1
InChIInChI=1S/C9H12O/c1-2-10-8-7-9-5-3-4-6-9/h2-5H,1,6-8H2
InChIKeyDJGNPZUFRKHSNF-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-ethenoxyethyl)cyclopenta-1,3-diene

1-(2-ethenoxyethyl)cyclopenta-1,3-diene (PubChem CID 90224031) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)cyclopenta-1,3-diene
PubChem CID90224031
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-(2-ethenoxyethyl)cyclopenta-1,3-diene
SMILESC=COCCC1=CC=CC1
InChIInChI=1S/C9H12O/c1-2-10-8-7-9-5-3-4-6-9/h2-5H,1,6-8H2
InChIKeyDJGNPZUFRKHSNF-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-ethenoxyethyl)cyclopenta-1,3-diene (CID 90224031) is 1-(2-ethenoxyethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-ethenoxyethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-ethenoxyethyl)cyclopenta-1,3-diene is C=COCCC1=CC=CC1.
What is the InChIKey of 1-(2-ethenoxyethyl)cyclopenta-1,3-diene?
The InChIKey is DJGNPZUFRKHSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-10-8-7-9-5-3-4-6-9/h2-5H,1,6-8H2.
What are the key properties of 1-(2-ethenoxyethyl)cyclopenta-1,3-diene?
1-(2-ethenoxyethyl)cyclopenta-1,3-diene has a molecular weight of 136.19 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 90224031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).