3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane

C14H23ClO2 — CID 104510565

IUPAC3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
SMILESClCC1(CCC2CCCO2)CCOC1C1CC1
InChIInChI=1S/C14H23ClO2/c15-10-14(6-5-12-2-1-8-16-12)7-9-17-13(14)11-3-4-11/h11-13H,1-10H2
InChIKeyGDWNEBXULDRFGX-UHFFFAOYSA-N
MW258.79 g/mol
LogP3.37
Rot. Bonds5

About 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane

3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane (PubChem CID 104510565) has the molecular formula C14H23ClO2 and a molecular weight of 258.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
PubChem CID104510565
Molecular FormulaC14H23ClO2
Molecular Weight258.79 g/mol
Exact Mass258.14
IUPAC Name3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
SMILESClCC1(CCC2CCCO2)CCOC1C1CC1
InChIInChI=1S/C14H23ClO2/c15-10-14(6-5-12-2-1-8-16-12)7-9-17-13(14)11-3-4-11/h11-13H,1-10H2
InChIKeyGDWNEBXULDRFGX-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 53.37
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

[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
CID 104510590
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
2-[2-[1-(1-chloroethyl)cyclopropyl]ethyl]oxolane
CID 106798501
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165282
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane (CID 104510565) is 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane is ClCC1(CCC2CCCO2)CCOC1C1CC1.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane?
The InChIKey is GDWNEBXULDRFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO2/c15-10-14(6-5-12-2-1-8-16-12)7-9-17-13(14)11-3-4-11/h11-13H,1-10H2.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane?
3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane has a molecular weight of 258.79 g/mol, XLogP of 3.37, 5 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-[2-(oxolan-2-yl)ethyl]oxolane is sourced from PubChem (CID 104510565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).