chloromethyl 1-(oxetan-3-yl)ethyl carbonate

C7H11ClO4 — CID 121380540

IUPACchloromethyl 1-(oxetan-3-yl)ethyl carbonate
SMILESCC(OC(=O)OCCl)C1COC1
InChIInChI=1S/C7H11ClO4/c1-5(6-2-10-3-6)12-7(9)11-4-8/h5-6H,2-4H2,1H3
InChIKeyUJKFWZJGXKFMIK-UHFFFAOYSA-N
MW194.61 g/mol
LogP1.37
Rot. Bonds3

About chloromethyl 1-(oxetan-3-yl)ethyl carbonate

chloromethyl 1-(oxetan-3-yl)ethyl carbonate (PubChem CID 121380540) has the molecular formula C7H11ClO4 and a molecular weight of 194.61 g/mol. Its IUPAC name is chloromethyl 1-(oxetan-3-yl)ethyl carbonate.

Molecular Properties

Compound Namechloromethyl 1-(oxetan-3-yl)ethyl carbonate
PubChem CID121380540
Molecular FormulaC7H11ClO4
Molecular Weight194.61 g/mol
Exact Mass194.03
IUPAC Namechloromethyl 1-(oxetan-3-yl)ethyl carbonate
SMILESCC(OC(=O)OCCl)C1COC1
InChIInChI=1S/C7H11ClO4/c1-5(6-2-10-3-6)12-7(9)11-4-8/h5-6H,2-4H2,1H3
InChIKeyUJKFWZJGXKFMIK-UHFFFAOYSA-N
XLogP1.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-(oxetan-3-yl)ethyl carbonate?
The IUPAC name of chloromethyl 1-(oxetan-3-yl)ethyl carbonate (CID 121380540) is chloromethyl 1-(oxetan-3-yl)ethyl carbonate.
What is the SMILES notation for chloromethyl 1-(oxetan-3-yl)ethyl carbonate?
The canonical SMILES for chloromethyl 1-(oxetan-3-yl)ethyl carbonate is CC(OC(=O)OCCl)C1COC1.
What is the InChIKey of chloromethyl 1-(oxetan-3-yl)ethyl carbonate?
The InChIKey is UJKFWZJGXKFMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO4/c1-5(6-2-10-3-6)12-7(9)11-4-8/h5-6H,2-4H2,1H3.
What are the key properties of chloromethyl 1-(oxetan-3-yl)ethyl carbonate?
chloromethyl 1-(oxetan-3-yl)ethyl carbonate has a molecular weight of 194.61 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 1-(oxetan-3-yl)ethyl carbonate is sourced from PubChem (CID 121380540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).