3-(chloromethyl)-2-(oxolan-3-yl)oxolane

C9H15ClO2 — CID 79373967

IUPAC3-(chloromethyl)-2-(oxolan-3-yl)oxolane
SMILESClCC1CCOC1C1CCOC1
InChIInChI=1S/C9H15ClO2/c10-5-7-2-4-12-9(7)8-1-3-11-6-8/h7-9H,1-6H2
InChIKeyQPJFDKZSHJQTQX-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.67
Rot. Bonds2

About 3-(chloromethyl)-2-(oxolan-3-yl)oxolane

3-(chloromethyl)-2-(oxolan-3-yl)oxolane (PubChem CID 79373967) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(oxolan-3-yl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(oxolan-3-yl)oxolane
PubChem CID79373967
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name3-(chloromethyl)-2-(oxolan-3-yl)oxolane
SMILESClCC1CCOC1C1CCOC1
InChIInChI=1S/C9H15ClO2/c10-5-7-2-4-12-9(7)8-1-3-11-6-8/h7-9H,1-6H2
InChIKeyQPJFDKZSHJQTQX-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.67
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

4-chloro-3-(chloromethyl)oxane
CID 55303155
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
4-[2-(chloromethyl)cyclopropyl]oxane
CID 81357487
2-(oxan-4-yl)oxolan-3-amine
CID 79365317
2-(oxan-3-yl)oxan-3-amine
CID 79364685
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
3,8-dioxabicyclo[4.2.0]octane
CID 83669972
(3aR,7aR)-2-(3-chloropropyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 129410315
(3aS,7aS)-2-(3-chloropropyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 129389749
dichloromethane;(3R)-3-iodooxolane
CID 158826535
[(2R,7R,11R,15S,19S,22S,26S,30R,34R,38R,43R,47R,51S,55S,58R,62S,66R,70R)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
CID 162968158
trans-(1R,2R)-1,2-bis(chloromethyl)cyclopentane
CID 71423224

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(oxolan-3-yl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-(oxolan-3-yl)oxolane (CID 79373967) is 3-(chloromethyl)-2-(oxolan-3-yl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-(oxolan-3-yl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-(oxolan-3-yl)oxolane is ClCC1CCOC1C1CCOC1.
What is the InChIKey of 3-(chloromethyl)-2-(oxolan-3-yl)oxolane?
The InChIKey is QPJFDKZSHJQTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c10-5-7-2-4-12-9(7)8-1-3-11-6-8/h7-9H,1-6H2.
What are the key properties of 3-(chloromethyl)-2-(oxolan-3-yl)oxolane?
3-(chloromethyl)-2-(oxolan-3-yl)oxolane has a molecular weight of 190.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(oxolan-3-yl)oxolane is sourced from PubChem (CID 79373967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).