3-methoxypropyl methyl carbonate

C6H12O4 — CID 23398209

IUPAC3-methoxypropyl methyl carbonate
SMILESCOCCCOC(=O)OC
InChIInChI=1S/C6H12O4/c1-8-4-3-5-10-6(7)9-2/h3-5H2,1-2H3
InChIKeyUFNREJPEUKLISQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.81
Rot. Bonds4

About 3-methoxypropyl methyl carbonate

3-methoxypropyl methyl carbonate (PubChem CID 23398209) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-methoxypropyl methyl carbonate.

Molecular Properties

Compound Name3-methoxypropyl methyl carbonate
PubChem CID23398209
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3-methoxypropyl methyl carbonate
SMILESCOCCCOC(=O)OC
InChIInChI=1S/C6H12O4/c1-8-4-3-5-10-6(7)9-2/h3-5H2,1-2H3
InChIKeyUFNREJPEUKLISQ-UHFFFAOYSA-N
XLogP0.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl methyl carbonate?
The IUPAC name of 3-methoxypropyl methyl carbonate (CID 23398209) is 3-methoxypropyl methyl carbonate.
What is the SMILES notation for 3-methoxypropyl methyl carbonate?
The canonical SMILES for 3-methoxypropyl methyl carbonate is COCCCOC(=O)OC.
What is the InChIKey of 3-methoxypropyl methyl carbonate?
The InChIKey is UFNREJPEUKLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-8-4-3-5-10-6(7)9-2/h3-5H2,1-2H3.
What are the key properties of 3-methoxypropyl methyl carbonate?
3-methoxypropyl methyl carbonate has a molecular weight of 148.16 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl methyl carbonate is sourced from PubChem (CID 23398209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).