2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane

C13H25ClO2 — CID 103491314

IUPAC2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane
SMILESCCOCC(C)OC1CC(Cl)C1(CC)CC
InChIInChI=1S/C13H25ClO2/c1-5-13(6-2)11(14)8-12(13)16-10(4)9-15-7-3/h10-12H,5-9H2,1-4H3
InChIKeyQZNMVPXVOWXCDS-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.61
Rot. Bonds7

About 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane

2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane (PubChem CID 103491314) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane.

Molecular Properties

Compound Name2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane
PubChem CID103491314
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane
SMILESCCOCC(C)OC1CC(Cl)C1(CC)CC
InChIInChI=1S/C13H25ClO2/c1-5-13(6-2)11(14)8-12(13)16-10(4)9-15-7-3/h10-12H,5-9H2,1-4H3
InChIKeyQZNMVPXVOWXCDS-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane?
The IUPAC name of 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane (CID 103491314) is 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane.
What is the SMILES notation for 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane?
The canonical SMILES for 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane is CCOCC(C)OC1CC(Cl)C1(CC)CC.
What is the InChIKey of 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane?
The InChIKey is QZNMVPXVOWXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-5-13(6-2)11(14)8-12(13)16-10(4)9-15-7-3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane?
2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane has a molecular weight of 248.79 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethoxypropan-2-yloxy)-1,1-diethylcyclobutane is sourced from PubChem (CID 103491314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).