2-hydroxyethyl acetate;2-methoxyethyl acetate

C9H18O6 — CID 159506787

IUPAC2-hydroxyethyl acetate;2-methoxyethyl acetate
SMILESCC(=O)OCCO.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C4H8O3/c1-5(6)8-4-3-7-2;1-4(6)7-3-2-5/h3-4H2,1-2H3;5H,2-3H2,1H3
InChIKeyMABZEHVWUSVPDD-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.26
Rot. Bonds5

About 2-hydroxyethyl acetate;2-methoxyethyl acetate

2-hydroxyethyl acetate;2-methoxyethyl acetate (PubChem CID 159506787) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-hydroxyethyl acetate;2-methoxyethyl acetate.

Molecular Properties

Compound Name2-hydroxyethyl acetate;2-methoxyethyl acetate
PubChem CID159506787
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name2-hydroxyethyl acetate;2-methoxyethyl acetate
SMILESCC(=O)OCCO.COCCOC(C)=O
InChIInChI=1S/C5H10O3.C4H8O3/c1-5(6)8-4-3-7-2;1-4(6)7-3-2-5/h3-4H2,1-2H3;5H,2-3H2,1H3
InChIKeyMABZEHVWUSVPDD-UHFFFAOYSA-N
XLogP-0.26
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethoxyethoxy)ethyl acetate
CID 8165
1,8-Diacetoxy-3,6-dioxaoctane
CID 8098
Glycol monoacetate
CID 10960
2-(2-(2-Methoxyethoxy)ethoxy)ethyl acetate
CID 19218
2-(2-Hydroxyethoxy)ethyl acetate
CID 74976
2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)acetic acid
CID 12679071
HO-Peg5-CH2cooh
CID 12518745
2,5,8,11-Tetraoxatridecan-13-oic acid
CID 9859324
2-{2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy}ethyl acetate
CID 21192312
3,6,9,12-Tetraoxatetradecan-1-ol, 13-oxo-, 1-acetate
CID 89834
2-[2-(2-Ethoxyethoxy)ethoxy]ethyl acetate
CID 3018201
1,2,3-Propanetriol, 1,3-dipropanoate
CID 87606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl acetate;2-methoxyethyl acetate?
The IUPAC name of 2-hydroxyethyl acetate;2-methoxyethyl acetate (CID 159506787) is 2-hydroxyethyl acetate;2-methoxyethyl acetate.
What is the SMILES notation for 2-hydroxyethyl acetate;2-methoxyethyl acetate?
The canonical SMILES for 2-hydroxyethyl acetate;2-methoxyethyl acetate is CC(=O)OCCO.COCCOC(C)=O.
What is the InChIKey of 2-hydroxyethyl acetate;2-methoxyethyl acetate?
The InChIKey is MABZEHVWUSVPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H8O3/c1-5(6)8-4-3-7-2;1-4(6)7-3-2-5/h3-4H2,1-2H3;5H,2-3H2,1H3.
What are the key properties of 2-hydroxyethyl acetate;2-methoxyethyl acetate?
2-hydroxyethyl acetate;2-methoxyethyl acetate has a molecular weight of 222.24 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl acetate;2-methoxyethyl acetate is sourced from PubChem (CID 159506787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).