2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)

C16H36O9 — CID 175032657

IUPAC2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
SMILESC=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C4H6O2.2C3H8O2/c1-5(8)4-9-6(2)3-7;1-3(2)4(5)6;2*1-3(5)2-4/h5-8H,3-4H2,1-2H3;1H2,2H3,(H,5,6);2*3-5H,2H2,1H3
InChIKeyDCDBTSLQWFXIQC-UHFFFAOYSA-N
MW372.46 g/mol
LogP-0.87
Rot. Bonds7

About 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)

2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol) (PubChem CID 175032657) has the molecular formula C16H36O9 and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol).

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
PubChem CID175032657
Molecular FormulaC16H36O9
Molecular Weight372.46 g/mol
Exact Mass372.24
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
SMILESC=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.C4H6O2.2C3H8O2/c1-5(8)4-9-6(2)3-7;1-3(2)4(5)6;2*1-3(5)2-4/h5-8H,3-4H2,1-2H3;1H2,2H3,(H,5,6);2*3-5H,2H2,1H3
InChIKeyDCDBTSLQWFXIQC-UHFFFAOYSA-N
XLogP-0.87
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 5-0.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 173326767
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
acetic acid;2-(2-hydroxypropoxy)propan-1-ol;methyl acetate
CID 160726973
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(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-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol) (CID 175032657) is 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol).
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol) is C=C(C)C(=O)O.CC(O)CO.CC(O)CO.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)?
The InChIKey is DCDBTSLQWFXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H6O2.2C3H8O2/c1-5(8)4-9-6(2)3-7;1-3(2)4(5)6;2*1-3(5)2-4/h5-8H,3-4H2,1-2H3;1H2,2H3,(H,5,6);2*3-5H,2H2,1H3.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)?
2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol) has a molecular weight of 372.46 g/mol, XLogP of -0.87, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol) is sourced from PubChem (CID 175032657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).