3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane

C13H23ClO2 — CID 104510552

IUPAC3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
SMILESCCOCCCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C13H23ClO2/c1-2-15-8-3-6-13(10-14)7-9-16-12(13)11-4-5-11/h11-12H,2-10H2,1H3
InChIKeyCWQXGLPKTLHMAX-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.23
Rot. Bonds7

About 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane

3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane (PubChem CID 104510552) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
PubChem CID104510552
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
SMILESCCOCCCC1(CCl)CCOC1C1CC1
InChIInChI=1S/C13H23ClO2/c1-2-15-8-3-6-13(10-14)7-9-16-12(13)11-4-5-11/h11-12H,2-10H2,1H3
InChIKeyCWQXGLPKTLHMAX-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.23
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

N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
CID 104510565
3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
CID 116628015
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
CID 102941014
[2-cyclopropyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methanol
CID 104568665
2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
CID 114532782
3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
CID 104510655

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane (CID 104510552) is 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane is CCOCCCC1(CCl)CCOC1C1CC1.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane?
The InChIKey is CWQXGLPKTLHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2/c1-2-15-8-3-6-13(10-14)7-9-16-12(13)11-4-5-11/h11-12H,2-10H2,1H3.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane?
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane has a molecular weight of 246.78 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane is sourced from PubChem (CID 104510552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).