2-(2-ethoxybutoxy)ethyl methyl carbonate

C10H20O5 — CID 87247647

IUPAC2-(2-ethoxybutoxy)ethyl methyl carbonate
SMILESCCOC(CC)COCCOC(=O)OC
InChIInChI=1S/C10H20O5/c1-4-9(14-5-2)8-13-6-7-15-10(11)12-3/h9H,4-8H2,1-3H3
InChIKeyJQCVUSITCOGIAI-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.60
Rot. Bonds8

About 2-(2-ethoxybutoxy)ethyl methyl carbonate

2-(2-ethoxybutoxy)ethyl methyl carbonate (PubChem CID 87247647) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(2-ethoxybutoxy)ethyl methyl carbonate.

Molecular Properties

Compound Name2-(2-ethoxybutoxy)ethyl methyl carbonate
PubChem CID87247647
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-(2-ethoxybutoxy)ethyl methyl carbonate
SMILESCCOC(CC)COCCOC(=O)OC
InChIInChI=1S/C10H20O5/c1-4-9(14-5-2)8-13-6-7-15-10(11)12-3/h9H,4-8H2,1-3H3
InChIKeyJQCVUSITCOGIAI-UHFFFAOYSA-N
XLogP1.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxybutoxy)ethyl methyl carbonate
CID 87247552
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
butyl 2-(2-methoxybutoxy)ethyl carbonate
CID 87248025
2-ethoxybutyl ethyl carbonate
CID 87247683
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
methyl pentan-3-yloxymethyl carbonate
CID 89015667
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
4-(2-ethoxybutoxy)butyl 2-cyanoprop-2-enoate
CID 54200987
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutoxy)ethyl methyl carbonate?
The IUPAC name of 2-(2-ethoxybutoxy)ethyl methyl carbonate (CID 87247647) is 2-(2-ethoxybutoxy)ethyl methyl carbonate.
What is the SMILES notation for 2-(2-ethoxybutoxy)ethyl methyl carbonate?
The canonical SMILES for 2-(2-ethoxybutoxy)ethyl methyl carbonate is CCOC(CC)COCCOC(=O)OC.
What is the InChIKey of 2-(2-ethoxybutoxy)ethyl methyl carbonate?
The InChIKey is JQCVUSITCOGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-4-9(14-5-2)8-13-6-7-15-10(11)12-3/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethoxybutoxy)ethyl methyl carbonate?
2-(2-ethoxybutoxy)ethyl methyl carbonate has a molecular weight of 220.26 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutoxy)ethyl methyl carbonate is sourced from PubChem (CID 87247647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).