2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid

C11H22O7 — CID 135332889

IUPAC2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
SMILESCC(O)COC(C)CO.O=C(O)CCCC(=O)O
InChIInChI=1S/C6H14O3.C5H8O4/c1-5(8)4-9-6(2)3-7;6-4(7)2-1-3-5(8)9/h5-8H,3-4H2,1-2H3;1-3H2,(H,6,7)(H,8,9)
InChIKeyJZGLLQYBQPJETP-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.09
Rot. Bonds8

About 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid

2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid (PubChem CID 135332889) has the molecular formula C11H22O7 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
PubChem CID135332889
Molecular FormulaC11H22O7
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
SMILESCC(O)COC(C)CO.O=C(O)CCCC(=O)O
InChIInChI=1S/C6H14O3.C5H8O4/c1-5(8)4-9-6(2)3-7;6-4(7)2-1-3-5(8)9/h5-8H,3-4H2,1-2H3;1-3H2,(H,6,7)(H,8,9)
InChIKeyJZGLLQYBQPJETP-UHFFFAOYSA-N
XLogP0.09
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
CID 121268166
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;6-methylheptanoic acid
CID 88717716
butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
CID 87459792
acetic acid;butanoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 87075600
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
hexyl dodecanoate;2-(2-hydroxypropoxy)propan-1-ol;nonanoic acid
CID 159387436
2-(2-hydroxypropoxy)propan-1-ol;octadeca-9,12-dienoic acid
CID 160559541
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
(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
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid (CID 135332889) is 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid is CC(O)COC(C)CO.O=C(O)CCCC(=O)O.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid?
The InChIKey is JZGLLQYBQPJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C5H8O4/c1-5(8)4-9-6(2)3-7;6-4(7)2-1-3-5(8)9/h5-8H,3-4H2,1-2H3;1-3H2,(H,6,7)(H,8,9).
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid?
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid has a molecular weight of 266.29 g/mol, XLogP of 0.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid is sourced from PubChem (CID 135332889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).