3-(chloromethyl)-3-(2-ethoxyethyl)oxane

C10H19ClO2 — CID 66036187

IUPAC3-(chloromethyl)-3-(2-ethoxyethyl)oxane
SMILESCCOCCC1(CCl)CCCOC1
InChIInChI=1S/C10H19ClO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3
InChIKeyXFJOHNXNRZUYIL-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.45
Rot. Bonds5

About 3-(chloromethyl)-3-(2-ethoxyethyl)oxane

3-(chloromethyl)-3-(2-ethoxyethyl)oxane (PubChem CID 66036187) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-ethoxyethyl)oxane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-ethoxyethyl)oxane
PubChem CID66036187
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name3-(chloromethyl)-3-(2-ethoxyethyl)oxane
SMILESCCOCCC1(CCl)CCCOC1
InChIInChI=1S/C10H19ClO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3
InChIKeyXFJOHNXNRZUYIL-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-3-(2-ethoxyethyl)oxane
CID 66042265
3-(2-butoxyethyl)-3-(chloromethyl)oxolane
CID 66033230
3-(chloromethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane
CID 66034349
3-(chloromethyl)-3-(2-propan-2-yloxyethyl)oxolane
CID 66035244
3,3-dipentyloxane
CID 174267507
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
3-(chloromethyl)-3-[(4-ethylphenyl)methyl]oxane
CID 66033688
3-(chloromethyl)-3-(2-ethylhexyl)oxane
CID 66033685

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-ethoxyethyl)oxane?
The IUPAC name of 3-(chloromethyl)-3-(2-ethoxyethyl)oxane (CID 66036187) is 3-(chloromethyl)-3-(2-ethoxyethyl)oxane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-ethoxyethyl)oxane?
The canonical SMILES for 3-(chloromethyl)-3-(2-ethoxyethyl)oxane is CCOCCC1(CCl)CCCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(2-ethoxyethyl)oxane?
The InChIKey is XFJOHNXNRZUYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-2-12-7-5-10(8-11)4-3-6-13-9-10/h2-9H2,1H3.
What are the key properties of 3-(chloromethyl)-3-(2-ethoxyethyl)oxane?
3-(chloromethyl)-3-(2-ethoxyethyl)oxane has a molecular weight of 206.71 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-ethoxyethyl)oxane is sourced from PubChem (CID 66036187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).