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

C12H21ClO2 — CID 104510590

IUPAC3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
SMILESCOC(C)CC1(CCl)CCOC1C1CC1
InChIInChI=1S/C12H21ClO2/c1-9(14-2)7-12(8-13)5-6-15-11(12)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyRMWAPQHTDFPLSV-UHFFFAOYSA-N
MW232.75 g/mol
LogP2.84
Rot. Bonds5

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

3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane (PubChem CID 104510590) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
PubChem CID104510590
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane
SMILESCOC(C)CC1(CCl)CCOC1C1CC1
InChIInChI=1S/C12H21ClO2/c1-9(14-2)7-12(8-13)5-6-15-11(12)10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyRMWAPQHTDFPLSV-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 52.84
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

3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
3-(chloromethyl)-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolane
CID 104510565
N-[[2-cyclopropyl-3-(2-methylpropyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 104510154
3-butan-2-yl-3-(chloromethyl)-2-cyclopropyloxolane
CID 104510655
[2-cyclopropyl-3-(2-methylpentyl)oxolan-3-yl]methanol
CID 104510505
3-(chloromethyl)-2-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethyl]oxolane
CID 116628015
3-(chloromethyl)-2-cyclopropyl-3-[(3,4-dimethylphenyl)methyl]oxolane
CID 104510563
3-(chloromethyl)-2-cyclopropyl-3-(phenylmethoxymethyl)oxolane
CID 102941014
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
1-[2-cyclopropyl-3-(3-methylbutyl)oxolan-3-yl]-N-methylmethanamine
CID 104509569
2-[2-[3-(chloromethyl)-2-cyclopropyloxolan-3-yl]ethyl]-1-methylimidazole
CID 114532782

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane (CID 104510590) is 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane is COC(C)CC1(CCl)CCOC1C1CC1.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane?
The InChIKey is RMWAPQHTDFPLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-9(14-2)7-12(8-13)5-6-15-11(12)10-3-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane?
3-(chloromethyl)-2-cyclopropyl-3-(2-methoxypropyl)oxolane has a molecular weight of 232.75 g/mol, XLogP of 2.84, 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-methoxypropyl)oxolane is sourced from PubChem (CID 104510590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).