3-chloro-1-(methoxymethyl)cyclopentene

C7H11ClO — CID 79576989

IUPAC3-chloro-1-(methoxymethyl)cyclopentene
SMILESCOCC1=CC(Cl)CC1
InChIInChI=1S/C7H11ClO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5H2,1H3
InChIKeyRNWJGWFZKREJFU-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-1-(methoxymethyl)cyclopentene

3-chloro-1-(methoxymethyl)cyclopentene (PubChem CID 79576989) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 3-chloro-1-(methoxymethyl)cyclopentene.

Molecular Properties

Compound Name3-chloro-1-(methoxymethyl)cyclopentene
PubChem CID79576989
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name3-chloro-1-(methoxymethyl)cyclopentene
SMILESCOCC1=CC(Cl)CC1
InChIInChI=1S/C7H11ClO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5H2,1H3
InChIKeyRNWJGWFZKREJFU-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(methoxymethyl)cyclopentene?
The IUPAC name of 3-chloro-1-(methoxymethyl)cyclopentene (CID 79576989) is 3-chloro-1-(methoxymethyl)cyclopentene.
What is the SMILES notation for 3-chloro-1-(methoxymethyl)cyclopentene?
The canonical SMILES for 3-chloro-1-(methoxymethyl)cyclopentene is COCC1=CC(Cl)CC1.
What is the InChIKey of 3-chloro-1-(methoxymethyl)cyclopentene?
The InChIKey is RNWJGWFZKREJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-9-5-6-2-3-7(8)4-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 3-chloro-1-(methoxymethyl)cyclopentene?
3-chloro-1-(methoxymethyl)cyclopentene has a molecular weight of 146.62 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(methoxymethyl)cyclopentene is sourced from PubChem (CID 79576989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).