[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate

C10H19ClO6 — CID 129387102

IUPAC[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
SMILESCOCCOCCOCCOC(=O)O[C@@H](C)Cl
InChIInChI=1S/C10H19ClO6/c1-9(11)17-10(12)16-8-7-15-6-5-14-4-3-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYAGDSHLJRXKUHH-VIFPVBQESA-N
MW270.71 g/mol
LogP1.40
Rot. Bonds10

About [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate

[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate (PubChem CID 129387102) has the molecular formula C10H19ClO6 and a molecular weight of 270.71 g/mol. Its IUPAC name is [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate.

Molecular Properties

Compound Name[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
PubChem CID129387102
Molecular FormulaC10H19ClO6
Molecular Weight270.71 g/mol
Exact Mass270.09
IUPAC Name[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
SMILESCOCCOCCOCCOC(=O)O[C@@H](C)Cl
InChIInChI=1S/C10H19ClO6/c1-9(11)17-10(12)16-8-7-15-6-5-14-4-3-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyYAGDSHLJRXKUHH-VIFPVBQESA-N
XLogP1.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-chloroethyl 2-chloroethyl carbonate
CID 87128668
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-(2-methoxyethoxy)ethyl 2-methylsulfonyloxypropanoate
CID 57132105
[1-hydroxy-3-[2-(2-methoxyethoxy)ethoxycarbonyloxy]propan-2-yl]azanium
CID 123878307
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate?
The IUPAC name of [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate (CID 129387102) is [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate.
What is the SMILES notation for [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate?
The canonical SMILES for [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate is COCCOCCOCCOC(=O)O[C@@H](C)Cl.
What is the InChIKey of [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate?
The InChIKey is YAGDSHLJRXKUHH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19ClO6/c1-9(11)17-10(12)16-8-7-15-6-5-14-4-3-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate?
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate has a molecular weight of 270.71 g/mol, XLogP of 1.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate is sourced from PubChem (CID 129387102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).