1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate

C11H24O5 — CID 90282040

IUPAC1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
SMILESCC(=O)OCCO.CCCOCCOCC
InChIInChI=1S/C7H16O2.C4H8O3/c1-3-5-9-7-6-8-4-2;1-4(6)7-3-2-5/h3-7H2,1-2H3;5H,2-3H2,1H3
InChIKeySERURZJJAXSGQD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.99
Rot. Bonds8

About 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate

1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate (PubChem CID 90282040) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
PubChem CID90282040
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
SMILESCC(=O)OCCO.CCCOCCOCC
InChIInChI=1S/C7H16O2.C4H8O3/c1-3-5-9-7-6-8-4-2;1-4(6)7-3-2-5/h3-7H2,1-2H3;5H,2-3H2,1H3
InChIKeySERURZJJAXSGQD-UHFFFAOYSA-N
XLogP0.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
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-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
ethane-1,2-diol;ethoxyethane;propyl acetate
CID 87069783
butyl acetate;2-ethoxyethanol
CID 87069038
2-ethoxyethanol;ethyl acetate
CID 22463789
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
4-hydroxybutyl acetate;1-propoxypropane
CID 87513978
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
ethyl acetate;methanol;1-propoxypropane
CID 175234331

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate?
The IUPAC name of 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate (CID 90282040) is 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate.
What is the SMILES notation for 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate?
The canonical SMILES for 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate is CC(=O)OCCO.CCCOCCOCC.
What is the InChIKey of 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate?
The InChIKey is SERURZJJAXSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C4H8O3/c1-3-5-9-7-6-8-4-2;1-4(6)7-3-2-5/h3-7H2,1-2H3;5H,2-3H2,1H3.
What are the key properties of 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate?
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate has a molecular weight of 236.31 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate is sourced from PubChem (CID 90282040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).