1-(2-hydroxypropoxy)ethane-1,2-diol

C5H12O4 — CID 54202578

IUPAC1-(2-hydroxypropoxy)ethane-1,2-diol
SMILESCC(O)COC(O)CO
InChIInChI=1S/C5H12O4/c1-4(7)3-9-5(8)2-6/h4-8H,2-3H2,1H3
InChIKeyKXHTYABYZPKCEH-UHFFFAOYSA-N
MW136.15 g/mol
LogP-1.31
Rot. Bonds4

About 1-(2-hydroxypropoxy)ethane-1,2-diol

1-(2-hydroxypropoxy)ethane-1,2-diol (PubChem CID 54202578) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(2-hydroxypropoxy)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-hydroxypropoxy)ethane-1,2-diol
PubChem CID54202578
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Name1-(2-hydroxypropoxy)ethane-1,2-diol
SMILESCC(O)COC(O)CO
InChIInChI=1S/C5H12O4/c1-4(7)3-9-5(8)2-6/h4-8H,2-3H2,1H3
InChIKeyKXHTYABYZPKCEH-UHFFFAOYSA-N
XLogP-1.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
1-(2-hydroxypropoxy)propane-1,2,3-triol
CID 88703009
(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;2-methyl-1-propan-2-yloxypropane
CID 174682815
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-(2-hydroxypropoxy)propan-1-ol;propan-2-one
CID 21325277
formic acid;2-(2-hydroxypropoxy)propan-1-ol
CID 88614617
2-(2-hydroxypropoxy)propan-1-ol;2-methylbut-2-ene
CID 174902396
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxy)ethane-1,2-diol?
The IUPAC name of 1-(2-hydroxypropoxy)ethane-1,2-diol (CID 54202578) is 1-(2-hydroxypropoxy)ethane-1,2-diol.
What is the SMILES notation for 1-(2-hydroxypropoxy)ethane-1,2-diol?
The canonical SMILES for 1-(2-hydroxypropoxy)ethane-1,2-diol is CC(O)COC(O)CO.
What is the InChIKey of 1-(2-hydroxypropoxy)ethane-1,2-diol?
The InChIKey is KXHTYABYZPKCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c1-4(7)3-9-5(8)2-6/h4-8H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxypropoxy)ethane-1,2-diol?
1-(2-hydroxypropoxy)ethane-1,2-diol has a molecular weight of 136.15 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropoxy)ethane-1,2-diol is sourced from PubChem (CID 54202578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).