4-(2-methoxyethyl)cyclopentene

C8H14O — CID 118394373

IUPAC4-(2-methoxyethyl)cyclopentene
SMILESCOCCC1CC=CC1
InChIInChI=1S/C8H14O/c1-9-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyTUSRFIMYBNHKJD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-methoxyethyl)cyclopentene

4-(2-methoxyethyl)cyclopentene (PubChem CID 118394373) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-(2-methoxyethyl)cyclopentene.

Molecular Properties

Compound Name4-(2-methoxyethyl)cyclopentene
PubChem CID118394373
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-(2-methoxyethyl)cyclopentene
SMILESCOCCC1CC=CC1
InChIInChI=1S/C8H14O/c1-9-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyTUSRFIMYBNHKJD-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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 4-(2-methoxyethyl)cyclopentene?
The IUPAC name of 4-(2-methoxyethyl)cyclopentene (CID 118394373) is 4-(2-methoxyethyl)cyclopentene.
What is the SMILES notation for 4-(2-methoxyethyl)cyclopentene?
The canonical SMILES for 4-(2-methoxyethyl)cyclopentene is COCCC1CC=CC1.
What is the InChIKey of 4-(2-methoxyethyl)cyclopentene?
The InChIKey is TUSRFIMYBNHKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-9-7-6-8-4-2-3-5-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)cyclopentene?
4-(2-methoxyethyl)cyclopentene has a molecular weight of 126.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)cyclopentene is sourced from PubChem (CID 118394373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).