5-(2-chloroethoxy)cyclopenta-1,3-diene

C7H9ClO — CID 13032205

IUPAC5-(2-chloroethoxy)cyclopenta-1,3-diene
SMILESClCCOC1C=CC=C1
InChIInChI=1S/C7H9ClO/c8-5-6-9-7-3-1-2-4-7/h1-4,7H,5-6H2
InChIKeyRHIXYUFWXXHGLM-UHFFFAOYSA-N
MW144.60 g/mol
LogP1.74
Rot. Bonds3

About 5-(2-chloroethoxy)cyclopenta-1,3-diene

5-(2-chloroethoxy)cyclopenta-1,3-diene (PubChem CID 13032205) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 5-(2-chloroethoxy)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2-chloroethoxy)cyclopenta-1,3-diene
PubChem CID13032205
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name5-(2-chloroethoxy)cyclopenta-1,3-diene
SMILESClCCOC1C=CC=C1
InChIInChI=1S/C7H9ClO/c8-5-6-9-7-3-1-2-4-7/h1-4,7H,5-6H2
InChIKeyRHIXYUFWXXHGLM-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Di-chloromethyl)-2,5-dihydrofuran
CID 12518972
5-(2-Chloroethoxy)cyclohexa-1,3-diene
CID 71773351
1,5-Dichloro-4-ethoxypent-2-ene;hydrochloride
CID 140972875
2-(Chloromethyl)-2,5-dihydrofuran
CID 141489804
3-(1-Ethoxyethyl)-1lambda3,2lambda3-dichloracyclohexa-1,3,5-triene
CID 141528637
6-(chloromethyl)-3,6-dihydro-2H-pyran
CID 20526441
(3E)-6-chloro-5-ethoxy-3-methyl-1,3-hexadiene
CID 24973076
(E)-5-chloro-4-methoxypent-2-ene
CID 55298196
(E)-4-(2-chloroethoxy)pent-2-ene
CID 55300958
(E)-1-chloro-4-methoxypent-2-ene
CID 55302084
(3E)-5-(2-chloroethoxy)hexa-1,3-diene
CID 55302397
(E)-5-chloro-4-ethoxypent-2-ene
CID 55302432

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethoxy)cyclopenta-1,3-diene?
The IUPAC name of 5-(2-chloroethoxy)cyclopenta-1,3-diene (CID 13032205) is 5-(2-chloroethoxy)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(2-chloroethoxy)cyclopenta-1,3-diene?
The canonical SMILES for 5-(2-chloroethoxy)cyclopenta-1,3-diene is ClCCOC1C=CC=C1.
What is the InChIKey of 5-(2-chloroethoxy)cyclopenta-1,3-diene?
The InChIKey is RHIXYUFWXXHGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c8-5-6-9-7-3-1-2-4-7/h1-4,7H,5-6H2.
What are the key properties of 5-(2-chloroethoxy)cyclopenta-1,3-diene?
5-(2-chloroethoxy)cyclopenta-1,3-diene has a molecular weight of 144.60 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethoxy)cyclopenta-1,3-diene is sourced from PubChem (CID 13032205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).