3-(chloromethyl)-3-(3-ethoxypropyl)oxolane

C10H19ClO2 — CID 66033456

IUPAC3-(chloromethyl)-3-(3-ethoxypropyl)oxolane
SMILESCCOCCCC1(CCl)CCOC1
InChIInChI=1S/C10H19ClO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9H2,1H3
InChIKeyBUQVAYMSYBILPB-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.45
Rot. Bonds6

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

3-(chloromethyl)-3-(3-ethoxypropyl)oxolane (PubChem CID 66033456) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(3-ethoxypropyl)oxolane
PubChem CID66033456
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name3-(chloromethyl)-3-(3-ethoxypropyl)oxolane
SMILESCCOCCCC1(CCl)CCOC1
InChIInChI=1S/C10H19ClO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9H2,1H3
InChIKeyBUQVAYMSYBILPB-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane?
The IUPAC name of 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane (CID 66033456) is 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane is CCOCCCC1(CCl)CCOC1.
What is the InChIKey of 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane?
The InChIKey is BUQVAYMSYBILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-2-12-6-3-4-10(8-11)5-7-13-9-10/h2-9H2,1H3.
What are the key properties of 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane?
3-(chloromethyl)-3-(3-ethoxypropyl)oxolane has a molecular weight of 206.71 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(3-ethoxypropyl)oxolane is sourced from PubChem (CID 66033456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).