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

C21H44O5 — CID 121268166

IUPAC2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
SMILESCC(O)COC(C)CO.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C6H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-5(8)4-9-6(2)3-7/h2-14H2,1H3,(H,16,17);5-8H,3-4H2,1-2H3
InChIKeyMEBDIQKSOVTOCW-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.93
Rot. Bonds17

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

2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid (PubChem CID 121268166) has the molecular formula C21H44O5 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
PubChem CID121268166
Molecular FormulaC21H44O5
Molecular Weight376.58 g/mol
Exact Mass376.32
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid
SMILESCC(O)COC(C)CO.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C6H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-5(8)4-9-6(2)3-7/h2-14H2,1H3,(H,16,17);5-8H,3-4H2,1-2H3
InChIKeyMEBDIQKSOVTOCW-UHFFFAOYSA-N
XLogP4.93
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexyl dodecanoate;2-(2-hydroxypropoxy)propan-1-ol;nonanoic acid
CID 159387436
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
2-(2-hydroxypropoxy)propan-1-ol;octadeca-9,12-dienoic acid
CID 160559541
acetic acid;butanoic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 87075600
octacosanoic acid;propane-1,2-diol
CID 161425866
bis(pentadecanoic acid);propane-1,2-diol
CID 121387964
tris(decanoic acid);propane-1,2-diol
CID 159441800
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;6-methylheptanoic acid
CID 88717716
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
butanedioic acid;2-(2-hydroxypropoxy)propan-1-ol;2-propan-2-yloxypropane
CID 87459792
2-methylpropan-1-ol;octadecanoic acid
CID 88506925
10,13-dihydroxy-9,12-bis(2-hydroxypropoxy)octadecanoic acid
CID 176816174

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid (CID 121268166) is 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid.
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid is CC(O)COC(C)CO.CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid?
The InChIKey is MEBDIQKSOVTOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.C6H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-5(8)4-9-6(2)3-7/h2-14H2,1H3,(H,16,17);5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid?
2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid has a molecular weight of 376.58 g/mol, XLogP of 4.93, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;pentadecanoic acid is sourced from PubChem (CID 121268166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).