2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate

C8H15ClO5 — CID 23509236

IUPAC2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate
SMILESCCOCCOCCOCOC(=O)Cl
InChIInChI=1S/C8H15ClO5/c1-2-11-3-4-12-5-6-13-7-14-8(9)10/h2-7H2,1H3
InChIKeySKUFPLMENACLEM-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.39
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate

2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate (PubChem CID 23509236) has the molecular formula C8H15ClO5 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate
PubChem CID23509236
Molecular FormulaC8H15ClO5
Molecular Weight226.66 g/mol
Exact Mass226.06
IUPAC Name2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate
SMILESCCOCCOCCOCOC(=O)Cl
InChIInChI=1S/C8H15ClO5/c1-2-11-3-4-12-5-6-13-7-14-8(9)10/h2-7H2,1H3
InChIKeySKUFPLMENACLEM-UHFFFAOYSA-N
XLogP1.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-ethoxyethoxy)ethoxymethanethioic S-acid
CID 87914074
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
methoxymethyl carbonochloridate
CID 21418650
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate?
The IUPAC name of 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate (CID 23509236) is 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate is CCOCCOCCOCOC(=O)Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate?
The InChIKey is SKUFPLMENACLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO5/c1-2-11-3-4-12-5-6-13-7-14-8(9)10/h2-7H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate?
2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate has a molecular weight of 226.66 g/mol, XLogP of 1.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate is sourced from PubChem (CID 23509236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).