2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane

C14H30O6 — CID 87238314

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
SMILESCC(=O)OCCOCCOCCO.CCCOCCC
InChIInChI=1S/C8H16O5.C6H14O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-3-5-7-6-4-2/h9H,2-7H2,1H3;3-6H2,1-2H3
InChIKeyRLSSXEHXDKCBNV-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.40
Rot. Bonds12

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane

2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane (PubChem CID 87238314) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
PubChem CID87238314
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
SMILESCC(=O)OCCOCCOCCO.CCCOCCC
InChIInChI=1S/C8H16O5.C6H14O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-3-5-7-6-4-2/h9H,2-7H2,1H3;3-6H2,1-2H3
InChIKeyRLSSXEHXDKCBNV-UHFFFAOYSA-N
XLogP1.40
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.40
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-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
4-hydroxybutyl acetate;1-propoxypropane
CID 87513978
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 87238354
2-butoxyethyl acetate;propyl acetate
CID 19764185
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
CID 158203924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane (CID 87238314) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane is CC(=O)OCCOCCOCCO.CCCOCCC.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane?
The InChIKey is RLSSXEHXDKCBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.C6H14O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-3-5-7-6-4-2/h9H,2-7H2,1H3;3-6H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane has a molecular weight of 294.39 g/mol, XLogP of 1.40, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane is sourced from PubChem (CID 87238314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).