2-[2-(2-hydroxypropoxy)propoxy]propyl acetate

C11H22O5 — CID 87518170

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
SMILESCC(=O)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C11H22O5/c1-8(12)5-14-9(2)6-15-10(3)7-16-11(4)13/h8-10,12H,5-7H2,1-4H3
InChIKeyLZGZHXAKMWUIAQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.74
Rot. Bonds8

About 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate

2-[2-(2-hydroxypropoxy)propoxy]propyl acetate (PubChem CID 87518170) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
PubChem CID87518170
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propyl acetate
SMILESCC(=O)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C11H22O5/c1-8(12)5-14-9(2)6-15-10(3)7-16-11(4)13/h8-10,12H,5-7H2,1-4H3
InChIKeyLZGZHXAKMWUIAQ-UHFFFAOYSA-N
XLogP0.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxypropoxy)propyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 158412024
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
2-hydroxypropyl acetate;mercury
CID 174858394
ethoxyethane;ethyl acetate;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87173315
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
CID 58444916
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
ethanol;2-hydroxypropyl acetate
CID 88717262
2-(2-heptoxypropoxy)propyl acetate
CID 155100621
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
N,N-dimethylmethanamine;2-hydroxypropyl acetate;hydrochloride
CID 173444949
2-[2-(2-methoxyethoxycarbonyloxy)propoxy]propyl acetate
CID 58422665
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate (CID 87518170) is 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate is CC(=O)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate?
The InChIKey is LZGZHXAKMWUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-8(12)5-14-9(2)6-15-10(3)7-16-11(4)13/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate?
2-[2-(2-hydroxypropoxy)propoxy]propyl acetate has a molecular weight of 234.29 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propyl acetate is sourced from PubChem (CID 87518170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).