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

C14H25ClO2 — CID 66345306

IUPAC2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane
SMILESCCC1(CC)C(Cl)CC1OCC1CCCCO1
InChIInChI=1S/C14H25ClO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-7-5-6-8-16-11/h11-13H,3-10H2,1-2H3
InChIKeyHBDKRXOMRHRRBL-UHFFFAOYSA-N
MW260.80 g/mol
LogP3.76
Rot. Bonds5

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

2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane (PubChem CID 66345306) has the molecular formula C14H25ClO2 and a molecular weight of 260.80 g/mol. Its IUPAC name is 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane.

Molecular Properties

Compound Name2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane
PubChem CID66345306
Molecular FormulaC14H25ClO2
Molecular Weight260.80 g/mol
Exact Mass260.15
IUPAC Name2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane
SMILESCCC1(CC)C(Cl)CC1OCC1CCCCO1
InChIInChI=1S/C14H25ClO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-7-5-6-8-16-11/h11-13H,3-10H2,1-2H3
InChIKeyHBDKRXOMRHRRBL-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.80
LogP ≤ 53.76
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-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane?
The IUPAC name of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane (CID 66345306) is 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane.
What is the SMILES notation for 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane?
The canonical SMILES for 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane is CCC1(CC)C(Cl)CC1OCC1CCCCO1.
What is the InChIKey of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane?
The InChIKey is HBDKRXOMRHRRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO2/c1-3-14(4-2)12(15)9-13(14)17-10-11-7-5-6-8-16-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane?
2-[(3-chloro-2,2-diethylcyclobutyl)oxymethyl]oxane has a molecular weight of 260.80 g/mol, XLogP of 3.76, 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]oxane is sourced from PubChem (CID 66345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).