3-(2-butoxyethyl)-3-(chloromethyl)oxolane

C11H21ClO2 — CID 66033230

IUPAC3-(2-butoxyethyl)-3-(chloromethyl)oxolane
SMILESCCCCOCCC1(CCl)CCOC1
InChIInChI=1S/C11H21ClO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10H2,1H3
InChIKeyWAZJVEOAURPCGT-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.84
Rot. Bonds7

About 3-(2-butoxyethyl)-3-(chloromethyl)oxolane

3-(2-butoxyethyl)-3-(chloromethyl)oxolane (PubChem CID 66033230) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-3-(chloromethyl)oxolane.

Molecular Properties

Compound Name3-(2-butoxyethyl)-3-(chloromethyl)oxolane
PubChem CID66033230
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name3-(2-butoxyethyl)-3-(chloromethyl)oxolane
SMILESCCCCOCCC1(CCl)CCOC1
InChIInChI=1S/C11H21ClO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10H2,1H3
InChIKeyWAZJVEOAURPCGT-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.84
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-(2-butoxyethyl)oxolan-3-yl]methanamine
CID 62725922
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62718846
3-(chloromethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane
CID 66034349
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946
3-(chloromethyl)-3-(2-ethoxyethyl)oxane
CID 66036187
3-(chloromethyl)-3-(2-propan-2-yloxyethyl)oxolane
CID 66035244
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 104568778
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
3-(bromomethyl)-3-nonyloxolane
CID 66050745
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-3-(chloromethyl)oxolane?
The IUPAC name of 3-(2-butoxyethyl)-3-(chloromethyl)oxolane (CID 66033230) is 3-(2-butoxyethyl)-3-(chloromethyl)oxolane.
What is the SMILES notation for 3-(2-butoxyethyl)-3-(chloromethyl)oxolane?
The canonical SMILES for 3-(2-butoxyethyl)-3-(chloromethyl)oxolane is CCCCOCCC1(CCl)CCOC1.
What is the InChIKey of 3-(2-butoxyethyl)-3-(chloromethyl)oxolane?
The InChIKey is WAZJVEOAURPCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-2-3-6-13-7-4-11(9-12)5-8-14-10-11/h2-10H2,1H3.
What are the key properties of 3-(2-butoxyethyl)-3-(chloromethyl)oxolane?
3-(2-butoxyethyl)-3-(chloromethyl)oxolane has a molecular weight of 220.74 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-3-(chloromethyl)oxolane is sourced from PubChem (CID 66033230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).