1-deuteriooxy-2-(2-ethoxyethoxy)ethane

C6H14O3 — CID 2723953

IUPAC1-deuteriooxy-2-(2-ethoxyethoxy)ethane
SMILES[2H]OCCOCCOCC
InChIInChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i7D
InChIKeyXXJWXESWEXIICW-WHRKIXHSSA-N
MW135.18 g/mol
LogP0.03
Rot. Bonds7

About 1-deuteriooxy-2-(2-ethoxyethoxy)ethane

1-deuteriooxy-2-(2-ethoxyethoxy)ethane (PubChem CID 2723953) has the molecular formula C6H14O3 and a molecular weight of 135.18 g/mol. Its IUPAC name is 1-deuteriooxy-2-(2-ethoxyethoxy)ethane.

Molecular Properties

Compound Name1-deuteriooxy-2-(2-ethoxyethoxy)ethane
PubChem CID2723953
Molecular FormulaC6H14O3
Molecular Weight135.18 g/mol
Exact Mass135.10
IUPAC Name1-deuteriooxy-2-(2-ethoxyethoxy)ethane
SMILES[2H]OCCOCCOCC
InChIInChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i7D
InChIKeyXXJWXESWEXIICW-WHRKIXHSSA-N
XLogP0.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylene Glycol Monomethyl Ether
CID 8134
Diethylene Glycol
CID 8117
2-Methoxyethanol
CID 8019
2-Butoxyethanol
CID 8133
Diethylene Glycol Monoethyl Ether
CID 8146
Triethylene Glycol
CID 8172
Glycol monoethyl ether
CID 8076
Triethylene glycol monoethyl ether
CID 8190
Triethylene glycol monomethyl ether
CID 8178
Isopropylethanediol
CID 7996
Glycol monopropyl ether
CID 17756
Diethylene glycol monopropyl ether
CID 81313

Frequently Asked Questions

What is the IUPAC name of 1-deuteriooxy-2-(2-ethoxyethoxy)ethane?
The IUPAC name of 1-deuteriooxy-2-(2-ethoxyethoxy)ethane (CID 2723953) is 1-deuteriooxy-2-(2-ethoxyethoxy)ethane.
What is the SMILES notation for 1-deuteriooxy-2-(2-ethoxyethoxy)ethane?
The canonical SMILES for 1-deuteriooxy-2-(2-ethoxyethoxy)ethane is [2H]OCCOCCOCC.
What is the InChIKey of 1-deuteriooxy-2-(2-ethoxyethoxy)ethane?
The InChIKey is XXJWXESWEXIICW-WHRKIXHSSA-N. The full InChI is InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i7D.
What are the key properties of 1-deuteriooxy-2-(2-ethoxyethoxy)ethane?
1-deuteriooxy-2-(2-ethoxyethoxy)ethane has a molecular weight of 135.18 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuteriooxy-2-(2-ethoxyethoxy)ethane is sourced from PubChem (CID 2723953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).