chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate

C6H11ClO5 — CID 170335305

IUPACchloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
SMILESO=C(OCCl)OCCOCCO
InChIInChI=1S/C6H11ClO5/c7-5-12-6(9)11-4-3-10-2-1-8/h8H,1-5H2
InChIKeyOAIBVLKCUSNALW-UHFFFAOYSA-N
MW198.60 g/mol
LogP0.34
Rot. Bonds6

About chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate

chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate (PubChem CID 170335305) has the molecular formula C6H11ClO5 and a molecular weight of 198.60 g/mol. Its IUPAC name is chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate.

Molecular Properties

Compound Namechloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
PubChem CID170335305
Molecular FormulaC6H11ClO5
Molecular Weight198.60 g/mol
Exact Mass198.03
IUPAC Namechloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
SMILESO=C(OCCl)OCCOCCO
InChIInChI=1S/C6H11ClO5/c7-5-12-6(9)11-4-3-10-2-1-8/h8H,1-5H2
InChIKeyOAIBVLKCUSNALW-UHFFFAOYSA-N
XLogP0.34
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.60
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
2-(2-hydroxyethoxy)ethoxycarbonyl formate
CID 57170393
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
chloromethyl propyl carbonate
CID 22595330
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174866576

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate?
The IUPAC name of chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate (CID 170335305) is chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate.
What is the SMILES notation for chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate?
The canonical SMILES for chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate is O=C(OCCl)OCCOCCO.
What is the InChIKey of chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate?
The InChIKey is OAIBVLKCUSNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO5/c7-5-12-6(9)11-4-3-10-2-1-8/h8H,1-5H2.
What are the key properties of chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate?
chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate has a molecular weight of 198.60 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate is sourced from PubChem (CID 170335305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).