3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane

C12H21ClO2 — CID 66343490

IUPAC3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(C)C(Cl)CC1OCC1CCOC1
InChIInChI=1S/C12H21ClO2/c1-3-12(2)10(13)6-11(12)15-8-9-4-5-14-7-9/h9-11H,3-8H2,1-2H3
InChIKeyZXAXVTBYNLRQLL-UHFFFAOYSA-N
MW232.75 g/mol
LogP2.84
Rot. Bonds4

About 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane

3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane (PubChem CID 66343490) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane.

Molecular Properties

Compound Name3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
PubChem CID66343490
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane
SMILESCCC1(C)C(Cl)CC1OCC1CCOC1
InChIInChI=1S/C12H21ClO2/c1-3-12(2)10(13)6-11(12)15-8-9-4-5-14-7-9/h9-11H,3-8H2,1-2H3
InChIKeyZXAXVTBYNLRQLL-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 52.84
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 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The IUPAC name of 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane (CID 66343490) is 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane.
What is the SMILES notation for 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The canonical SMILES for 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane is CCC1(C)C(Cl)CC1OCC1CCOC1.
What is the InChIKey of 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
The InChIKey is ZXAXVTBYNLRQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-3-12(2)10(13)6-11(12)15-8-9-4-5-14-7-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane?
3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane has a molecular weight of 232.75 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethyl]oxolane is sourced from PubChem (CID 66343490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).