2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C16H34O6 — CID 87238354

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(=O)OCCOCCOCCO.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C8H16O5.C8H18O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-7(2,3)9-8(4,5)6/h9H,2-7H2,1H3;1-6H3
InChIKeyVELHFVULISZBHD-UHFFFAOYSA-N
MW322.44 g/mol
LogP2.17
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 87238354) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID87238354
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(=O)OCCOCCOCCO.CC(C)(C)OC(C)(C)C
InChIInChI=1S/C8H16O5.C8H18O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-7(2,3)9-8(4,5)6/h9H,2-7H2,1H3;1-6H3
InChIKeyVELHFVULISZBHD-UHFFFAOYSA-N
XLogP2.17
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 52.17
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
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;1-propoxypropane
CID 87238314
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-acetyloxyethyl 2-(2-hydroxyethoxy)acetate
CID 174436572
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-(2-butoxyethoxy)ethanol;pentyl acetate
CID 159514789
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 87238354) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(=O)OCCOCCOCCO.CC(C)(C)OC(C)(C)C.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is VELHFVULISZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.C8H18O/c1-8(10)13-7-6-12-5-4-11-3-2-9;1-7(2,3)9-8(4,5)6/h9H,2-7H2,1H3;1-6H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 322.44 g/mol, XLogP of 2.17, 8 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;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 87238354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).