propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate

C9H18O5 — CID 21252463

IUPACpropan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESCC(C)OC(=O)COCCOCCO
InChIInChI=1S/C9H18O5/c1-8(2)14-9(11)7-13-6-5-12-4-3-10/h8,10H,3-7H2,1-2H3
InChIKeyWAUAMMLCNFJVHL-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.04
Rot. Bonds8

About propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate

propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate (PubChem CID 21252463) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
PubChem CID21252463
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Namepropan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESCC(C)OC(=O)COCCOCCO
InChIInChI=1S/C9H18O5/c1-8(2)14-9(11)7-13-6-5-12-4-3-10/h8,10H,3-7H2,1-2H3
InChIKeyWAUAMMLCNFJVHL-UHFFFAOYSA-N
XLogP-0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.04
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

ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
propan-2-yl 2-(3,3,3-trifluoropropoxy)acetate
CID 82953795
bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 88794483
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
propan-2-yl 2-(2-methylprop-2-enoxy)acetate
CID 15892945
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
2-methylbutan-2-yl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate
CID 166662738
bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 161242191

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate (CID 21252463) is propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate is CC(C)OC(=O)COCCOCCO.
What is the InChIKey of propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The InChIKey is WAUAMMLCNFJVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-8(2)14-9(11)7-13-6-5-12-4-3-10/h8,10H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate has a molecular weight of 206.24 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate is sourced from PubChem (CID 21252463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).