3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol

C6H10O3 — CID 19101885

IUPAC3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol
SMILESC=C(O)COCC(=C)O
InChIInChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h7-8H,1-4H2
InChIKeySUMNCRUUHZCWFT-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol

3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol (PubChem CID 19101885) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol
PubChem CID19101885
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol
SMILESC=C(O)COCC(=C)O
InChIInChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h7-8H,1-4H2
InChIKeySUMNCRUUHZCWFT-UHFFFAOYSA-N
XLogP1.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyprop-2-enoxy)acetic acid
CID 59294122
3-[2-(carboxymethyl)prop-2-enoxymethyl]but-3-enoic acid
CID 71405308
2-(2-chloroprop-2-enoxy)acetic acid
CID 112692961
bis(2-hydroxyprop-2-enyl) hydrogen phosphate
CID 175059095
3-[3-[2-hydroxyethyl(methyl)amino]propoxy]prop-1-en-2-ol
CID 88618761
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
CID 139572007
ethane-1,2-diol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;bis(2-sulfanylacetic acid)
CID 174591214
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
CID 22133408
hydron;2-hydroxyprop-2-enyl sulfate
CID 173263988

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol?
The IUPAC name of 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol (CID 19101885) is 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol.
What is the SMILES notation for 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol?
The canonical SMILES for 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol is C=C(O)COCC(=C)O.
What is the InChIKey of 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol?
The InChIKey is SUMNCRUUHZCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h7-8H,1-4H2.
What are the key properties of 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol?
3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol has a molecular weight of 130.14 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyprop-2-enoxy)prop-1-en-2-ol is sourced from PubChem (CID 19101885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).