2-(2-oxopropoxy)ethyl carbonochloridate

C6H9ClO4 — CID 165028645

IUPAC2-(2-oxopropoxy)ethyl carbonochloridate
SMILESCC(=O)COCCOC(=O)Cl
InChIInChI=1S/C6H9ClO4/c1-5(8)4-10-2-3-11-6(7)9/h2-4H2,1H3
InChIKeyCHEVAMWKGHSHNN-UHFFFAOYSA-N
MW180.59 g/mol
LogP0.97
Rot. Bonds5

About 2-(2-oxopropoxy)ethyl carbonochloridate

2-(2-oxopropoxy)ethyl carbonochloridate (PubChem CID 165028645) has the molecular formula C6H9ClO4 and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-(2-oxopropoxy)ethyl carbonochloridate.

Molecular Properties

Compound Name2-(2-oxopropoxy)ethyl carbonochloridate
PubChem CID165028645
Molecular FormulaC6H9ClO4
Molecular Weight180.59 g/mol
Exact Mass180.02
IUPAC Name2-(2-oxopropoxy)ethyl carbonochloridate
SMILESCC(=O)COCCOC(=O)Cl
InChIInChI=1S/C6H9ClO4/c1-5(8)4-10-2-3-11-6(7)9/h2-4H2,1H3
InChIKeyCHEVAMWKGHSHNN-UHFFFAOYSA-N
XLogP0.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
2-(2-oxopropoxy)ethyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 174178872
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137
N-(2-hydroxyethyl)-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 155596113
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropoxy)ethyl carbonochloridate?
The IUPAC name of 2-(2-oxopropoxy)ethyl carbonochloridate (CID 165028645) is 2-(2-oxopropoxy)ethyl carbonochloridate.
What is the SMILES notation for 2-(2-oxopropoxy)ethyl carbonochloridate?
The canonical SMILES for 2-(2-oxopropoxy)ethyl carbonochloridate is CC(=O)COCCOC(=O)Cl.
What is the InChIKey of 2-(2-oxopropoxy)ethyl carbonochloridate?
The InChIKey is CHEVAMWKGHSHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO4/c1-5(8)4-10-2-3-11-6(7)9/h2-4H2,1H3.
What are the key properties of 2-(2-oxopropoxy)ethyl carbonochloridate?
2-(2-oxopropoxy)ethyl carbonochloridate has a molecular weight of 180.59 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropoxy)ethyl carbonochloridate is sourced from PubChem (CID 165028645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).