butan-1-ol;ethanol;2-hydroxypropanoic acid

C9H22O5 — CID 158306418

IUPACbutan-1-ol;ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCO.CCO
InChIInChI=1S/C4H10O.C3H6O3.C2H6O/c1-2-3-4-5;1-2(4)3(5)6;1-2-3/h5H,2-4H2,1H3;2,4H,1H3,(H,5,6);3H,2H2,1H3
InChIKeyGNDDDDMRXKUALE-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.23
Rot. Bonds3

About butan-1-ol;ethanol;2-hydroxypropanoic acid

butan-1-ol;ethanol;2-hydroxypropanoic acid (PubChem CID 158306418) has the molecular formula C9H22O5 and a molecular weight of 210.27 g/mol. Its IUPAC name is butan-1-ol;ethanol;2-hydroxypropanoic acid.

Molecular Properties

Compound Namebutan-1-ol;ethanol;2-hydroxypropanoic acid
PubChem CID158306418
Molecular FormulaC9H22O5
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Namebutan-1-ol;ethanol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCO.CCO
InChIInChI=1S/C4H10O.C3H6O3.C2H6O/c1-2-3-4-5;1-2(4)3(5)6;1-2-3/h5H,2-4H2,1H3;2,4H,1H3,(H,5,6);3H,2H2,1H3
InChIKeyGNDDDDMRXKUALE-UHFFFAOYSA-N
XLogP0.23
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

hexacosan-1-ol;2-hydroxypropanoic acid
CID 175494686
butan-1-ol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162268367
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
acetic acid;butan-1-ol;propane-1,2-diol
CID 175324133
decan-1-amine;2-hydroxypropanoic acid
CID 88700123
butan-1-ol;ethanol;bis(1-sulfanylethanol)
CID 159841433
butan-1-ol;methanol;propan-2-ol
CID 23284119
butan-1-ol;ethanol;zirconium
CID 87234004
butan-1-ol;vanadium(2+);dichloride
CID 158641398
butan-1-ol
CID 20532113
2-hydroxypropanoic acid
CID 87075455
(1,2,3,4-13C4)butan-1-ol
CID 71309697

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethanol;2-hydroxypropanoic acid?
The IUPAC name of butan-1-ol;ethanol;2-hydroxypropanoic acid (CID 158306418) is butan-1-ol;ethanol;2-hydroxypropanoic acid.
What is the SMILES notation for butan-1-ol;ethanol;2-hydroxypropanoic acid?
The canonical SMILES for butan-1-ol;ethanol;2-hydroxypropanoic acid is CC(O)C(=O)O.CCCCO.CCO.
What is the InChIKey of butan-1-ol;ethanol;2-hydroxypropanoic acid?
The InChIKey is GNDDDDMRXKUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H6O3.C2H6O/c1-2-3-4-5;1-2(4)3(5)6;1-2-3/h5H,2-4H2,1H3;2,4H,1H3,(H,5,6);3H,2H2,1H3.
What are the key properties of butan-1-ol;ethanol;2-hydroxypropanoic acid?
butan-1-ol;ethanol;2-hydroxypropanoic acid has a molecular weight of 210.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethanol;2-hydroxypropanoic acid is sourced from PubChem (CID 158306418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).