2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane

C10H19ClO2 — CID 66343403

IUPAC2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane
SMILESCCOCCOC1CC(Cl)C1(C)C
InChIInChI=1S/C10H19ClO2/c1-4-12-5-6-13-9-7-8(11)10(9,2)3/h8-9H,4-7H2,1-3H3
InChIKeyKVNCGQGOWBIIAQ-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.45
Rot. Bonds5

About 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane

2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane (PubChem CID 66343403) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane
PubChem CID66343403
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane
SMILESCCOCCOC1CC(Cl)C1(C)C
InChIInChI=1S/C10H19ClO2/c1-4-12-5-6-13-9-7-8(11)10(9,2)3/h8-9H,4-7H2,1-3H3
InChIKeyKVNCGQGOWBIIAQ-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane?
The IUPAC name of 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane (CID 66343403) is 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane.
What is the SMILES notation for 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane?
The canonical SMILES for 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane is CCOCCOC1CC(Cl)C1(C)C.
What is the InChIKey of 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane?
The InChIKey is KVNCGQGOWBIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-4-12-5-6-13-9-7-8(11)10(9,2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane?
2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane has a molecular weight of 206.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane is sourced from PubChem (CID 66343403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).