4-(2-chlorocyclopentyl)oxane

C10H17ClO — CID 63937318

IUPAC4-(2-chlorocyclopentyl)oxane
SMILESClC1CCCC1C1CCOCC1
InChIInChI=1S/C10H17ClO/c11-10-3-1-2-9(10)8-4-6-12-7-5-8/h8-10H,1-7H2
InChIKeyPNIYEGNPRHIZQQ-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.82
Rot. Bonds1

About 4-(2-chlorocyclopentyl)oxane

4-(2-chlorocyclopentyl)oxane (PubChem CID 63937318) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-(2-chlorocyclopentyl)oxane.

Molecular Properties

Compound Name4-(2-chlorocyclopentyl)oxane
PubChem CID63937318
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name4-(2-chlorocyclopentyl)oxane
SMILESClC1CCCC1C1CCOCC1
InChIInChI=1S/C10H17ClO/c11-10-3-1-2-9(10)8-4-6-12-7-5-8/h8-10H,1-7H2
InChIKeyPNIYEGNPRHIZQQ-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorocyclopentyl)oxane?
The IUPAC name of 4-(2-chlorocyclopentyl)oxane (CID 63937318) is 4-(2-chlorocyclopentyl)oxane.
What is the SMILES notation for 4-(2-chlorocyclopentyl)oxane?
The canonical SMILES for 4-(2-chlorocyclopentyl)oxane is ClC1CCCC1C1CCOCC1.
What is the InChIKey of 4-(2-chlorocyclopentyl)oxane?
The InChIKey is PNIYEGNPRHIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c11-10-3-1-2-9(10)8-4-6-12-7-5-8/h8-10H,1-7H2.
What are the key properties of 4-(2-chlorocyclopentyl)oxane?
4-(2-chlorocyclopentyl)oxane has a molecular weight of 188.70 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorocyclopentyl)oxane is sourced from PubChem (CID 63937318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).