4-chloro-3-cyclohexyloxane

C11H19ClO — CID 543344

IUPAC4-chloro-3-cyclohexyloxane
SMILESClC1CCOCC1C1CCCCC1
InChIInChI=1S/C11H19ClO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyVWDBLGGRBJGTIC-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.21
Rot. Bonds1

About 4-chloro-3-cyclohexyloxane

4-chloro-3-cyclohexyloxane (PubChem CID 543344) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 4-chloro-3-cyclohexyloxane.

Molecular Properties

Compound Name4-chloro-3-cyclohexyloxane
PubChem CID543344
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name4-chloro-3-cyclohexyloxane
SMILESClC1CCOCC1C1CCCCC1
InChIInChI=1S/C11H19ClO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8H2
InChIKeyVWDBLGGRBJGTIC-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.21
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-chloro-3-cyclohexyloxane?
The IUPAC name of 4-chloro-3-cyclohexyloxane (CID 543344) is 4-chloro-3-cyclohexyloxane.
What is the SMILES notation for 4-chloro-3-cyclohexyloxane?
The canonical SMILES for 4-chloro-3-cyclohexyloxane is ClC1CCOCC1C1CCCCC1.
What is the InChIKey of 4-chloro-3-cyclohexyloxane?
The InChIKey is VWDBLGGRBJGTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9/h9-11H,1-8H2.
What are the key properties of 4-chloro-3-cyclohexyloxane?
4-chloro-3-cyclohexyloxane has a molecular weight of 202.72 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclohexyloxane is sourced from PubChem (CID 543344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).