cyclopent-3-en-1-yloxymethylbenzene

C12H14O — CID 11788566

IUPACcyclopent-3-en-1-yloxymethylbenzene
SMILESC1=CCC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7,12H,8-10H2
InChIKeyZLSJNMIPGGUJDC-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.92
Rot. Bonds3

About cyclopent-3-en-1-yloxymethylbenzene

cyclopent-3-en-1-yloxymethylbenzene (PubChem CID 11788566) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is cyclopent-3-en-1-yloxymethylbenzene.

Molecular Properties

Compound Namecyclopent-3-en-1-yloxymethylbenzene
PubChem CID11788566
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Namecyclopent-3-en-1-yloxymethylbenzene
SMILESC1=CCC(OCc2ccccc2)C1
InChIInChI=1S/C12H14O/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7,12H,8-10H2
InChIKeyZLSJNMIPGGUJDC-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yloxymethylbenzene?
The IUPAC name of cyclopent-3-en-1-yloxymethylbenzene (CID 11788566) is cyclopent-3-en-1-yloxymethylbenzene.
What is the SMILES notation for cyclopent-3-en-1-yloxymethylbenzene?
The canonical SMILES for cyclopent-3-en-1-yloxymethylbenzene is C1=CCC(OCc2ccccc2)C1.
What is the InChIKey of cyclopent-3-en-1-yloxymethylbenzene?
The InChIKey is ZLSJNMIPGGUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-6-11(7-3-1)10-13-12-8-4-5-9-12/h1-7,12H,8-10H2.
What are the key properties of cyclopent-3-en-1-yloxymethylbenzene?
cyclopent-3-en-1-yloxymethylbenzene has a molecular weight of 174.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yloxymethylbenzene is sourced from PubChem (CID 11788566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).