2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)

C12H20N2O3 — CID 158101930

IUPAC2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
SMILESC=CC#N.C=CC#N.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.2C3H3N/c1-5(8)4-9-6(2)3-7;2*1-2-3-4/h5-8H,3-4H2,1-2H3;2*2H,1H2
InChIKeyFPJFGVOYRXZDKN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)

2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile) (PubChem CID 158101930) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile).

Molecular Properties

Compound Name2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
PubChem CID158101930
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)
SMILESC=CC#N.C=CC#N.CC(O)COC(C)CO
InChIInChI=1S/C6H14O3.2C3H3N/c1-5(8)4-9-6(2)3-7;2*1-2-3-4/h5-8H,3-4H2,1-2H3;2*2H,1H2
InChIKeyFPJFGVOYRXZDKN-UHFFFAOYSA-N
XLogP1.16
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(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
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-(2-hydroxypropoxy)propan-1-ol;N-prop-2-enoylprop-2-enamide
CID 160985965
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
CID 87252519
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)?
The IUPAC name of 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile) (CID 158101930) is 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile).
What is the SMILES notation for 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)?
The canonical SMILES for 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile) is C=CC#N.C=CC#N.CC(O)COC(C)CO.
What is the InChIKey of 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)?
The InChIKey is FPJFGVOYRXZDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.2C3H3N/c1-5(8)4-9-6(2)3-7;2*1-2-3-4/h5-8H,3-4H2,1-2H3;2*2H,1H2.
What are the key properties of 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile)?
2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile) has a molecular weight of 240.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)propan-1-ol;bis(prop-2-enenitrile) is sourced from PubChem (CID 158101930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).