4-(methoxymethyl)-1,3-dioxolane

C5H10O3 — CID 12839329

IUPAC4-(methoxymethyl)-1,3-dioxolane
SMILESCOCC1COCO1
InChIInChI=1S/C5H10O3/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3
InChIKeyCSGLGSJJQTTXRR-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.01
Rot. Bonds2

About 4-(methoxymethyl)-1,3-dioxolane

4-(methoxymethyl)-1,3-dioxolane (PubChem CID 12839329) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(methoxymethyl)-1,3-dioxolane
PubChem CID12839329
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name4-(methoxymethyl)-1,3-dioxolane
SMILESCOCC1COCO1
InChIInChI=1S/C5H10O3/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3
InChIKeyCSGLGSJJQTTXRR-UHFFFAOYSA-N
XLogP0.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1,3-dioxolane?
The IUPAC name of 4-(methoxymethyl)-1,3-dioxolane (CID 12839329) is 4-(methoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(methoxymethyl)-1,3-dioxolane?
The canonical SMILES for 4-(methoxymethyl)-1,3-dioxolane is COCC1COCO1.
What is the InChIKey of 4-(methoxymethyl)-1,3-dioxolane?
The InChIKey is CSGLGSJJQTTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-6-2-5-3-7-4-8-5/h5H,2-4H2,1H3.
What are the key properties of 4-(methoxymethyl)-1,3-dioxolane?
4-(methoxymethyl)-1,3-dioxolane has a molecular weight of 118.13 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 12839329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).