1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

C6H12O3 — CID 18506451

IUPAC1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC(O)CC1OC1CO
InChIInChI=1S/C6H12O3/c1-4(8)2-5-6(3-7)9-5/h4-8H,2-3H2,1H3
InChIKeyAINGDXJCBWUNRE-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds3

About 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (PubChem CID 18506451) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
PubChem CID18506451
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC(O)CC1OC1CO
InChIInChI=1S/C6H12O3/c1-4(8)2-5-6(3-7)9-5/h4-8H,2-3H2,1H3
InChIKeyAINGDXJCBWUNRE-UHFFFAOYSA-N
XLogP-0.48
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxane-3,4,5-triol
CID 25109604
1-chloro-3-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
CID 90738943
butan-2-ol;2,3-diethyloxirane
CID 174728518
[(3S)-3-(2,2-diethoxyethyl)oxiran-2-yl]methanol
CID 59992924
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25109610
[(2R,3S)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102159
[(2S,3S)-3-(4-methylpentyl)oxiran-2-yl]methanol
CID 10997318
[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102158
(2S,3R,4S,5S,6R)-2-[(2S)-2-hydroxypropyl]-6-methyloxane-3,4,5-triol
CID 59696974
[(2S,3S)-3-but-3-en-2-yloxiran-2-yl]methanol
CID 5324179
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
[(2S,3R)-3-(chloromethyl)oxiran-2-yl]methanol
CID 55301080

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The IUPAC name of 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (CID 18506451) is 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The canonical SMILES for 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is CC(O)CC1OC1CO.
What is the InChIKey of 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The InChIKey is AINGDXJCBWUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(8)2-5-6(3-7)9-5/h4-8H,2-3H2,1H3.
What are the key properties of 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 18506451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).