2-(prop-1-en-2-yloxymethoxy)ethanol

C6H12O3 — CID 21053381

IUPAC2-(prop-1-en-2-yloxymethoxy)ethanol
SMILESC=C(C)OCOCCO
InChIInChI=1S/C6H12O3/c1-6(2)9-5-8-4-3-7/h7H,1,3-5H2,2H3
InChIKeyIMEDGRZFHPZGNM-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.50
Rot. Bonds5

About 2-(prop-1-en-2-yloxymethoxy)ethanol

2-(prop-1-en-2-yloxymethoxy)ethanol (PubChem CID 21053381) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(prop-1-en-2-yloxymethoxy)ethanol.

Molecular Properties

Compound Name2-(prop-1-en-2-yloxymethoxy)ethanol
PubChem CID21053381
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(prop-1-en-2-yloxymethoxy)ethanol
SMILESC=C(C)OCOCCO
InChIInChI=1S/C6H12O3/c1-6(2)9-5-8-4-3-7/h7H,1,3-5H2,2H3
InChIKeyIMEDGRZFHPZGNM-UHFFFAOYSA-N
XLogP0.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-((2-Methoxyethoxy)methoxy)-1-propene
CID 376762
2-(Methoxymethoxy)prop-2-en-1-ol
CID 10678218
Prop-1-en-2-yloxymethoxymethanol
CID 21053420
2-(Butan-2-yloxymethoxy)prop-2-en-1-ol
CID 23524656
1-(2-Prop-1-en-2-yloxyethoxy)ethanol
CID 88388956
2-(2-Ethenoxypropan-2-yloxy)ethanol
CID 139914794
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
(2,4-Dimethyl-1,3-dioxol-2-yl)methanol
CID 141086844
2-(Butan-2-yloxymethoxy)prop-2-en-1-ol;methane
CID 161792941
(2-Ethoxy-1,3-dioxol-4-yl)methanol
CID 166068732
2,2-Dimethoxyethanol;prop-1-en-2-ol
CID 174630133
2-(Hydroxymethoxymethoxy)prop-2-en-1-ol
CID 175138367

Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-yloxymethoxy)ethanol?
The IUPAC name of 2-(prop-1-en-2-yloxymethoxy)ethanol (CID 21053381) is 2-(prop-1-en-2-yloxymethoxy)ethanol.
What is the SMILES notation for 2-(prop-1-en-2-yloxymethoxy)ethanol?
The canonical SMILES for 2-(prop-1-en-2-yloxymethoxy)ethanol is C=C(C)OCOCCO.
What is the InChIKey of 2-(prop-1-en-2-yloxymethoxy)ethanol?
The InChIKey is IMEDGRZFHPZGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2)9-5-8-4-3-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(prop-1-en-2-yloxymethoxy)ethanol?
2-(prop-1-en-2-yloxymethoxy)ethanol has a molecular weight of 132.16 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-yloxymethoxy)ethanol is sourced from PubChem (CID 21053381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).