2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane

C13H25ClO — CID 102988683

IUPAC2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane
SMILESCCCC(C)OC1CC(Cl)C1(CC)CC
InChIInChI=1S/C13H25ClO/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyGCEBIEYTZJVAMS-UHFFFAOYSA-N
MW232.79 g/mol
LogP4.38
Rot. Bonds6

About 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane

2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane (PubChem CID 102988683) has the molecular formula C13H25ClO and a molecular weight of 232.79 g/mol. Its IUPAC name is 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane.

Molecular Properties

Compound Name2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane
PubChem CID102988683
Molecular FormulaC13H25ClO
Molecular Weight232.79 g/mol
Exact Mass232.16
IUPAC Name2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane
SMILESCCCC(C)OC1CC(Cl)C1(CC)CC
InChIInChI=1S/C13H25ClO/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10-12H,5-9H2,1-4H3
InChIKeyGCEBIEYTZJVAMS-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 54.38
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 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane?
The IUPAC name of 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane (CID 102988683) is 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane.
What is the SMILES notation for 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane?
The canonical SMILES for 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane is CCCC(C)OC1CC(Cl)C1(CC)CC.
What is the InChIKey of 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane?
The InChIKey is GCEBIEYTZJVAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO/c1-5-8-10(4)15-12-9-11(14)13(12,6-2)7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane?
2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane has a molecular weight of 232.79 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-diethyl-4-pentan-2-yloxycyclobutane is sourced from PubChem (CID 102988683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).