2-ethoxypentyl hydrogen carbonate

C8H16O4 — CID 139923190

IUPAC2-ethoxypentyl hydrogen carbonate
SMILESCCCC(COC(=O)O)OCC
InChIInChI=1S/C8H16O4/c1-3-5-7(11-4-2)6-12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyLDBPEBLVGVMBHO-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.89
Rot. Bonds6

About 2-ethoxypentyl hydrogen carbonate

2-ethoxypentyl hydrogen carbonate (PubChem CID 139923190) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-ethoxypentyl hydrogen carbonate.

Molecular Properties

Compound Name2-ethoxypentyl hydrogen carbonate
PubChem CID139923190
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-ethoxypentyl hydrogen carbonate
SMILESCCCC(COC(=O)O)OCC
InChIInChI=1S/C8H16O4/c1-3-5-7(11-4-2)6-12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyLDBPEBLVGVMBHO-UHFFFAOYSA-N
XLogP1.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypentyl hydrogen carbonate?
The IUPAC name of 2-ethoxypentyl hydrogen carbonate (CID 139923190) is 2-ethoxypentyl hydrogen carbonate.
What is the SMILES notation for 2-ethoxypentyl hydrogen carbonate?
The canonical SMILES for 2-ethoxypentyl hydrogen carbonate is CCCC(COC(=O)O)OCC.
What is the InChIKey of 2-ethoxypentyl hydrogen carbonate?
The InChIKey is LDBPEBLVGVMBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-5-7(11-4-2)6-12-8(9)10/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-ethoxypentyl hydrogen carbonate?
2-ethoxypentyl hydrogen carbonate has a molecular weight of 176.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypentyl hydrogen carbonate is sourced from PubChem (CID 139923190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).