1-methoxypropyl hydrogen carbonate

C5H10O4 — CID 21071316

IUPAC1-methoxypropyl hydrogen carbonate
SMILESCCC(OC)OC(=O)O
InChIInChI=1S/C5H10O4/c1-3-4(8-2)9-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyFHXUGHGXVCDDNG-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.06
Rot. Bonds3

About 1-methoxypropyl hydrogen carbonate

1-methoxypropyl hydrogen carbonate (PubChem CID 21071316) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 1-methoxypropyl hydrogen carbonate.

Molecular Properties

Compound Name1-methoxypropyl hydrogen carbonate
PubChem CID21071316
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name1-methoxypropyl hydrogen carbonate
SMILESCCC(OC)OC(=O)O
InChIInChI=1S/C5H10O4/c1-3-4(8-2)9-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyFHXUGHGXVCDDNG-UHFFFAOYSA-N
XLogP1.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropyl hydrogen carbonate?
The IUPAC name of 1-methoxypropyl hydrogen carbonate (CID 21071316) is 1-methoxypropyl hydrogen carbonate.
What is the SMILES notation for 1-methoxypropyl hydrogen carbonate?
The canonical SMILES for 1-methoxypropyl hydrogen carbonate is CCC(OC)OC(=O)O.
What is the InChIKey of 1-methoxypropyl hydrogen carbonate?
The InChIKey is FHXUGHGXVCDDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-3-4(8-2)9-5(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of 1-methoxypropyl hydrogen carbonate?
1-methoxypropyl hydrogen carbonate has a molecular weight of 134.13 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropyl hydrogen carbonate is sourced from PubChem (CID 21071316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).