2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane

C13H23ClO2 — CID 66343413

IUPAC2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(CC)C(Cl)CC1OCC1CCCO1
InChIInChI=1S/C13H23ClO2/c1-3-13(4-2)11(14)8-12(13)16-9-10-6-5-7-15-10/h10-12H,3-9H2,1-2H3
InChIKeyZOHSKRXTCJZWJP-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.37
Rot. Bonds5

About 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane

2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane (PubChem CID 66343413) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane.

Molecular Properties

Compound Name2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
PubChem CID66343413
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(CC)C(Cl)CC1OCC1CCCO1
InChIInChI=1S/C13H23ClO2/c1-3-13(4-2)11(14)8-12(13)16-9-10-6-5-7-15-10/h10-12H,3-9H2,1-2H3
InChIKeyZOHSKRXTCJZWJP-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)-3-(3-ethoxypropyl)oxolane
CID 66033456
1-(Chloromethyl)-1-[2-(2-methoxyethoxy)ethyl]cyclobutane
CID 66033761
1-(Chloromethyl)-1-[2-(propan-2-yloxy)ethyl]cyclobutane
CID 66034432
3-(Chloromethyl)-3-(3-methoxypropyl)oxolane
CID 66036599
(3-Chloro-2,2-diethylcyclobutyl)oxycyclopentane
CID 66343398
2-Chloro-4-(2-ethoxyethoxy)-1,1-dimethylcyclobutane
CID 66343403
2-[(3-Chlorospiro[3.5]nonan-1-yl)oxymethyl]oxolane
CID 66343414
2-Chloro-1-ethyl-1-methyl-4-pentoxycyclobutane
CID 66343458
3-[(3-Chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
CID 66343490
2-Chloro-4-(2-ethoxyethoxy)-1-ethyl-1-methylcyclobutane
CID 66343615
2-[(3-Chlorospiro[3.6]decan-1-yl)oxymethyl]oxolane
CID 66343622
2-[(3-Chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
CID 66343624

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane?
The IUPAC name of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane (CID 66343413) is 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane.
What is the SMILES notation for 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane?
The canonical SMILES for 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane is CCC1(CC)C(Cl)CC1OCC1CCCO1.
What is the InChIKey of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane?
The InChIKey is ZOHSKRXTCJZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2/c1-3-13(4-2)11(14)8-12(13)16-9-10-6-5-7-15-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane?
2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane has a molecular weight of 246.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxolane is sourced from PubChem (CID 66343413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).