2-(1-hydroxyprop-2-enoxy)propan-2-ol

C6H12O3 — CID 174666718

IUPAC2-(1-hydroxyprop-2-enoxy)propan-2-ol
SMILESC=CC(O)OC(C)(C)O
InChIInChI=1S/C6H12O3/c1-4-5(7)9-6(2,3)8/h4-5,7-8H,1H2,2-3H3
InChIKeyYRHHFHYTFLCVNQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.24
Rot. Bonds3

About 2-(1-hydroxyprop-2-enoxy)propan-2-ol

2-(1-hydroxyprop-2-enoxy)propan-2-ol (PubChem CID 174666718) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-enoxy)propan-2-ol.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-enoxy)propan-2-ol
PubChem CID174666718
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(1-hydroxyprop-2-enoxy)propan-2-ol
SMILESC=CC(O)OC(C)(C)O
InChIInChI=1S/C6H12O3/c1-4-5(7)9-6(2,3)8/h4-5,7-8H,1H2,2-3H3
InChIKeyYRHHFHYTFLCVNQ-UHFFFAOYSA-N
XLogP0.24
TPSA49.69 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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049
2-but-3-en-2-yloxy-2-hydroxypropanoic acid
CID 175010207
4-[2-(1-hydroxyethoxy)propan-2-yl]hexa-1,5-dien-3-ol
CID 169012978
(3S)-4-methyl-4-sulfanylpent-1-en-3-ol
CID 90370975
1,1-dichloro-2-methylbut-3-en-2-ol
CID 119096410
2-hydroxy-2-[(2-methylpropan-2-yl)oxy]acetaldehyde
CID 87848931
1-ethenylperoxyprop-2-en-1-ol
CID 88593785
5-methoxy-5-methylhex-1-en-3-ol
CID 103027593
1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 54215711
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-enoxy)propan-2-ol?
The IUPAC name of 2-(1-hydroxyprop-2-enoxy)propan-2-ol (CID 174666718) is 2-(1-hydroxyprop-2-enoxy)propan-2-ol.
What is the SMILES notation for 2-(1-hydroxyprop-2-enoxy)propan-2-ol?
The canonical SMILES for 2-(1-hydroxyprop-2-enoxy)propan-2-ol is C=CC(O)OC(C)(C)O.
What is the InChIKey of 2-(1-hydroxyprop-2-enoxy)propan-2-ol?
The InChIKey is YRHHFHYTFLCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(7)9-6(2,3)8/h4-5,7-8H,1H2,2-3H3.
What are the key properties of 2-(1-hydroxyprop-2-enoxy)propan-2-ol?
2-(1-hydroxyprop-2-enoxy)propan-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-enoxy)propan-2-ol is sourced from PubChem (CID 174666718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).