2-ethoxyethanol;hydrate

C4H12O3 — CID 16750101

IUPAC2-ethoxyethanol;hydrate
SMILESCCOCCO.O
InChIInChI=1S/C4H10O2.H2O/c1-2-6-4-3-5;/h5H,2-4H2,1H3;1H2
InChIKeyXZDUGACICAWSKQ-UHFFFAOYSA-N
MW108.14 g/mol
LogP-0.81
Rot. Bonds3

About 2-ethoxyethanol;hydrate

2-ethoxyethanol;hydrate (PubChem CID 16750101) has the molecular formula C4H12O3 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethoxyethanol;hydrate.

Molecular Properties

Compound Name2-ethoxyethanol;hydrate
PubChem CID16750101
Molecular FormulaC4H12O3
Molecular Weight108.14 g/mol
Exact Mass108.08
IUPAC Name2-ethoxyethanol;hydrate
SMILESCCOCCO.O
InChIInChI=1S/C4H10O2.H2O/c1-2-6-4-3-5;/h5H,2-4H2,1H3;1H2
InChIKeyXZDUGACICAWSKQ-UHFFFAOYSA-N
XLogP-0.81
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethoxyethanol;hydrate?
The IUPAC name of 2-ethoxyethanol;hydrate (CID 16750101) is 2-ethoxyethanol;hydrate.
What is the SMILES notation for 2-ethoxyethanol;hydrate?
The canonical SMILES for 2-ethoxyethanol;hydrate is CCOCCO.O.
What is the InChIKey of 2-ethoxyethanol;hydrate?
The InChIKey is XZDUGACICAWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.H2O/c1-2-6-4-3-5;/h5H,2-4H2,1H3;1H2.
What are the key properties of 2-ethoxyethanol;hydrate?
2-ethoxyethanol;hydrate has a molecular weight of 108.14 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;hydrate is sourced from PubChem (CID 16750101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).