3-(chloromethyl)-3-(furan-2-ylmethyl)oxane

C11H15ClO2 — CID 66036401

IUPAC3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
SMILESClCC1(Cc2ccco2)CCCOC1
InChIInChI=1S/C11H15ClO2/c12-8-11(4-2-5-13-9-11)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2
InChIKeyOPZDOCQWQRDOHA-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.86
Rot. Bonds3

About 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane

3-(chloromethyl)-3-(furan-2-ylmethyl)oxane (PubChem CID 66036401) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
PubChem CID66036401
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(chloromethyl)-3-(furan-2-ylmethyl)oxane
SMILESClCC1(Cc2ccco2)CCCOC1
InChIInChI=1S/C11H15ClO2/c12-8-11(4-2-5-13-9-11)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2
InChIKeyOPZDOCQWQRDOHA-UHFFFAOYSA-N
XLogP2.86
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.86
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

2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
[3-(furan-2-ylmethyl)oxolan-3-yl]methanol
CID 66059212
3-[(2-bromophenyl)methyl]-3-(chloromethyl)oxane
CID 66033462
N-[[3-(furan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62997767
3-(chloromethyl)-3-(2,3-dihydro-1H-inden-5-ylmethyl)oxane
CID 66036644
[3-[[ethyl(furan-2-ylmethyl)amino]methyl]oxan-3-yl]methanol
CID 55242635
N-[[3-[[furan-2-ylmethyl(methyl)amino]methyl]oxan-3-yl]methyl]ethanamine
CID 63739772
3-(furan-2-ylmethyl)oxolane-3-carbaldehyde
CID 130663249
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
3-(chloromethyl)-3-(thiophen-2-ylmethyl)oxolane
CID 66033453
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane?
The IUPAC name of 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane (CID 66036401) is 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane.
What is the SMILES notation for 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane?
The canonical SMILES for 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane is ClCC1(Cc2ccco2)CCCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane?
The InChIKey is OPZDOCQWQRDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c12-8-11(4-2-5-13-9-11)7-10-3-1-6-14-10/h1,3,6H,2,4-5,7-9H2.
What are the key properties of 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane?
3-(chloromethyl)-3-(furan-2-ylmethyl)oxane has a molecular weight of 214.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(furan-2-ylmethyl)oxane is sourced from PubChem (CID 66036401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).