2-(hydroxymethoxymethoxy)prop-2-en-1-ol

C5H10O4 — CID 175138367

IUPAC2-(hydroxymethoxymethoxy)prop-2-en-1-ol
SMILESC=C(CO)OCOCO
InChIInChI=1S/C5H10O4/c1-5(2-6)9-4-8-3-7/h6-7H,1-4H2
InChIKeyGFELOGINIXOSNY-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.57
Rot. Bonds5

About 2-(hydroxymethoxymethoxy)prop-2-en-1-ol

2-(hydroxymethoxymethoxy)prop-2-en-1-ol (PubChem CID 175138367) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-(hydroxymethoxymethoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(hydroxymethoxymethoxy)prop-2-en-1-ol
PubChem CID175138367
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name2-(hydroxymethoxymethoxy)prop-2-en-1-ol
SMILESC=C(CO)OCOCO
InChIInChI=1S/C5H10O4/c1-5(2-6)9-4-8-3-7/h6-7H,1-4H2
InChIKeyGFELOGINIXOSNY-UHFFFAOYSA-N
XLogP-0.57
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dioxol-5-ylmethanol
CID 17868908
2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
2-(Prop-1-en-2-yloxymethoxy)ethanol
CID 21053381
2-(Butan-2-yloxymethoxy)prop-2-en-1-ol
CID 23524656
3-Hydroxyprop-1-en-2-yl hydrogen carbonate
CID 54239186
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
(2-Methyl-1,3-dioxol-4-yl)methanol
CID 141070112
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol;hydrate
CID 141082860
1,3-Dioxol-4-ylmethanol;hydrate
CID 141124679
(2-Ethyl-1,3-dioxol-4-yl)methanol
CID 141260686
[2-[4-(Hydroxymethyl)-1,3-dioxol-2-ylidene]-1,3-dioxol-4-yl]methanol
CID 153675593

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxymethoxy)prop-2-en-1-ol?
The IUPAC name of 2-(hydroxymethoxymethoxy)prop-2-en-1-ol (CID 175138367) is 2-(hydroxymethoxymethoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-(hydroxymethoxymethoxy)prop-2-en-1-ol?
The canonical SMILES for 2-(hydroxymethoxymethoxy)prop-2-en-1-ol is C=C(CO)OCOCO.
What is the InChIKey of 2-(hydroxymethoxymethoxy)prop-2-en-1-ol?
The InChIKey is GFELOGINIXOSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(2-6)9-4-8-3-7/h6-7H,1-4H2.
What are the key properties of 2-(hydroxymethoxymethoxy)prop-2-en-1-ol?
2-(hydroxymethoxymethoxy)prop-2-en-1-ol has a molecular weight of 134.13 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxymethoxy)prop-2-en-1-ol is sourced from PubChem (CID 175138367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).