chloromethyl 2-methoxyethyl carbonate

C5H9ClO4 — CID 18629498

IUPACchloromethyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OCCl
InChIInChI=1S/C5H9ClO4/c1-8-2-3-9-5(7)10-4-6/h2-4H2,1H3
InChIKeyXIQFQYLHQIVRSP-UHFFFAOYSA-N
MW168.58 g/mol
LogP0.98
Rot. Bonds4

About chloromethyl 2-methoxyethyl carbonate

chloromethyl 2-methoxyethyl carbonate (PubChem CID 18629498) has the molecular formula C5H9ClO4 and a molecular weight of 168.58 g/mol. Its IUPAC name is chloromethyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Namechloromethyl 2-methoxyethyl carbonate
PubChem CID18629498
Molecular FormulaC5H9ClO4
Molecular Weight168.58 g/mol
Exact Mass168.02
IUPAC Namechloromethyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OCCl
InChIInChI=1S/C5H9ClO4/c1-8-2-3-9-5(7)10-4-6/h2-4H2,1H3
InChIKeyXIQFQYLHQIVRSP-UHFFFAOYSA-N
XLogP0.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 chloromethyl 2-methoxyethyl carbonate?
The IUPAC name of chloromethyl 2-methoxyethyl carbonate (CID 18629498) is chloromethyl 2-methoxyethyl carbonate.
What is the SMILES notation for chloromethyl 2-methoxyethyl carbonate?
The canonical SMILES for chloromethyl 2-methoxyethyl carbonate is COCCOC(=O)OCCl.
What is the InChIKey of chloromethyl 2-methoxyethyl carbonate?
The InChIKey is XIQFQYLHQIVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO4/c1-8-2-3-9-5(7)10-4-6/h2-4H2,1H3.
What are the key properties of chloromethyl 2-methoxyethyl carbonate?
chloromethyl 2-methoxyethyl carbonate has a molecular weight of 168.58 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-methoxyethyl carbonate is sourced from PubChem (CID 18629498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).