1,3-dioxolan-4-ylmethyl methyl carbonate

C6H10O5 — CID 21305994

IUPAC1,3-dioxolan-4-ylmethyl methyl carbonate
SMILESCOC(=O)OCC1COCO1
InChIInChI=1S/C6H10O5/c1-8-6(7)10-3-5-2-9-4-11-5/h5H,2-4H2,1H3
InChIKeyDIEHHKPRDRZYBH-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.14
Rot. Bonds2

About 1,3-dioxolan-4-ylmethyl methyl carbonate

1,3-dioxolan-4-ylmethyl methyl carbonate (PubChem CID 21305994) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 1,3-dioxolan-4-ylmethyl methyl carbonate.

Molecular Properties

Compound Name1,3-dioxolan-4-ylmethyl methyl carbonate
PubChem CID21305994
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name1,3-dioxolan-4-ylmethyl methyl carbonate
SMILESCOC(=O)OCC1COCO1
InChIInChI=1S/C6H10O5/c1-8-6(7)10-3-5-2-9-4-11-5/h5H,2-4H2,1H3
InChIKeyDIEHHKPRDRZYBH-UHFFFAOYSA-N
XLogP0.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-4-ylmethyl methyl carbonate?
The IUPAC name of 1,3-dioxolan-4-ylmethyl methyl carbonate (CID 21305994) is 1,3-dioxolan-4-ylmethyl methyl carbonate.
What is the SMILES notation for 1,3-dioxolan-4-ylmethyl methyl carbonate?
The canonical SMILES for 1,3-dioxolan-4-ylmethyl methyl carbonate is COC(=O)OCC1COCO1.
What is the InChIKey of 1,3-dioxolan-4-ylmethyl methyl carbonate?
The InChIKey is DIEHHKPRDRZYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-8-6(7)10-3-5-2-9-4-11-5/h5H,2-4H2,1H3.
What are the key properties of 1,3-dioxolan-4-ylmethyl methyl carbonate?
1,3-dioxolan-4-ylmethyl methyl carbonate has a molecular weight of 162.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-4-ylmethyl methyl carbonate is sourced from PubChem (CID 21305994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).