2-[(3-chlorocyclobutyl)oxymethyl]oxane

C10H17ClO2 — CID 66345100

IUPAC2-[(3-chlorocyclobutyl)oxymethyl]oxane
SMILESClC1CC(OCC2CCCCO2)C1
InChIInChI=1S/C10H17ClO2/c11-8-5-10(6-8)13-7-9-3-1-2-4-12-9/h8-10H,1-7H2
InChIKeyAHBXYQHCNPRVJL-UHFFFAOYSA-N
MW204.70 g/mol
LogP2.34
Rot. Bonds3

About 2-[(3-chlorocyclobutyl)oxymethyl]oxane

2-[(3-chlorocyclobutyl)oxymethyl]oxane (PubChem CID 66345100) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is 2-[(3-chlorocyclobutyl)oxymethyl]oxane.

Molecular Properties

Compound Name2-[(3-chlorocyclobutyl)oxymethyl]oxane
PubChem CID66345100
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name2-[(3-chlorocyclobutyl)oxymethyl]oxane
SMILESClC1CC(OCC2CCCCO2)C1
InChIInChI=1S/C10H17ClO2/c11-8-5-10(6-8)13-7-9-3-1-2-4-12-9/h8-10H,1-7H2
InChIKeyAHBXYQHCNPRVJL-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.34
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

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3-(oxolan-2-ylmethoxy)oxane
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4-(oxolan-2-ylmethoxy)cyclohexan-1-amine
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3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
3-(oxolan-2-ylmethoxy)cyclohexan-1-ol
CID 79618250
4-(oxolan-2-ylmethoxy)piperidine;hydrochloride
CID 45074945
2-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]oxolane
CID 66343624
(3S)-3-[[(2R)-oxolan-2-yl]methoxy]pyrrolidine
CID 26191909
2-(oxan-2-ylmethoxy)cyclododecan-1-amine
CID 43099703
2-(2-methoxyethoxy)-3-(oxan-2-ylmethoxy)cyclobutan-1-ol
CID 114032146
oxolan-2-ylmethyl hypochlorite
CID 22491519

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorocyclobutyl)oxymethyl]oxane?
The IUPAC name of 2-[(3-chlorocyclobutyl)oxymethyl]oxane (CID 66345100) is 2-[(3-chlorocyclobutyl)oxymethyl]oxane.
What is the SMILES notation for 2-[(3-chlorocyclobutyl)oxymethyl]oxane?
The canonical SMILES for 2-[(3-chlorocyclobutyl)oxymethyl]oxane is ClC1CC(OCC2CCCCO2)C1.
What is the InChIKey of 2-[(3-chlorocyclobutyl)oxymethyl]oxane?
The InChIKey is AHBXYQHCNPRVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO2/c11-8-5-10(6-8)13-7-9-3-1-2-4-12-9/h8-10H,1-7H2.
What are the key properties of 2-[(3-chlorocyclobutyl)oxymethyl]oxane?
2-[(3-chlorocyclobutyl)oxymethyl]oxane has a molecular weight of 204.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorocyclobutyl)oxymethyl]oxane is sourced from PubChem (CID 66345100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).