5-(prop-2-enoxymethyl)cyclopenta-1,3-diene

C9H12O — CID 12524792

IUPAC5-(prop-2-enoxymethyl)cyclopenta-1,3-diene
SMILESC=CCOCC1C=CC=C1
InChIInChI=1S/C9H12O/c1-2-7-10-8-9-5-3-4-6-9/h2-6,9H,1,7-8H2
InChIKeyGRXLFPPRNOWLAE-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.93
Rot. Bonds4

About 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene

5-(prop-2-enoxymethyl)cyclopenta-1,3-diene (PubChem CID 12524792) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(prop-2-enoxymethyl)cyclopenta-1,3-diene
PubChem CID12524792
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name5-(prop-2-enoxymethyl)cyclopenta-1,3-diene
SMILESC=CCOCC1C=CC=C1
InChIInChI=1S/C9H12O/c1-2-7-10-8-9-5-3-4-6-9/h2-6,9H,1,7-8H2
InChIKeyGRXLFPPRNOWLAE-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene (CID 12524792) is 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene is C=CCOCC1C=CC=C1.
What is the InChIKey of 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene?
The InChIKey is GRXLFPPRNOWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-7-10-8-9-5-3-4-6-9/h2-6,9H,1,7-8H2.
What are the key properties of 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene?
5-(prop-2-enoxymethyl)cyclopenta-1,3-diene has a molecular weight of 136.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(prop-2-enoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12524792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).