prop-1-en-2-yloxymethoxymethanol

C5H10O3 — CID 21053420

IUPACprop-1-en-2-yloxymethoxymethanol
SMILESC=C(C)OCOCO
InChIInChI=1S/C5H10O3/c1-5(2)8-4-7-3-6/h6H,1,3-4H2,2H3
InChIKeyXFCJPKWUFRFGJF-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.46
Rot. Bonds4

About prop-1-en-2-yloxymethoxymethanol

prop-1-en-2-yloxymethoxymethanol (PubChem CID 21053420) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is prop-1-en-2-yloxymethoxymethanol.

Molecular Properties

Compound Nameprop-1-en-2-yloxymethoxymethanol
PubChem CID21053420
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameprop-1-en-2-yloxymethoxymethanol
SMILESC=C(C)OCOCO
InChIInChI=1S/C5H10O3/c1-5(2)8-4-7-3-6/h6H,1,3-4H2,2H3
InChIKeyXFCJPKWUFRFGJF-UHFFFAOYSA-N
XLogP0.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yloxymethoxymethanol?
The IUPAC name of prop-1-en-2-yloxymethoxymethanol (CID 21053420) is prop-1-en-2-yloxymethoxymethanol.
What is the SMILES notation for prop-1-en-2-yloxymethoxymethanol?
The canonical SMILES for prop-1-en-2-yloxymethoxymethanol is C=C(C)OCOCO.
What is the InChIKey of prop-1-en-2-yloxymethoxymethanol?
The InChIKey is XFCJPKWUFRFGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(2)8-4-7-3-6/h6H,1,3-4H2,2H3.
What are the key properties of prop-1-en-2-yloxymethoxymethanol?
prop-1-en-2-yloxymethoxymethanol has a molecular weight of 118.13 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yloxymethoxymethanol is sourced from PubChem (CID 21053420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).