[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium

C10H20NO3+ — CID 59718834

IUPAC[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium
SMILESCCOC(=O)CCC1([NH3+])CCOCC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3/p+1
InChIKeyCQHUDGVFQSKRPS-UHFFFAOYSA-O
MW202.27 g/mol
LogP0.12
Rot. Bonds4

About [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium

[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium (PubChem CID 59718834) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium.

Molecular Properties

Compound Name[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium
PubChem CID59718834
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium
SMILESCCOC(=O)CCC1([NH3+])CCOCC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3/p+1
InChIKeyCQHUDGVFQSKRPS-UHFFFAOYSA-O
XLogP0.12
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium?
The IUPAC name of [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium (CID 59718834) is [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium.
What is the SMILES notation for [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium?
The canonical SMILES for [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium is CCOC(=O)CCC1([NH3+])CCOCC1.
What is the InChIKey of [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium?
The InChIKey is CQHUDGVFQSKRPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3/p+1.
What are the key properties of [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium?
[4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium has a molecular weight of 202.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-3-oxopropyl)oxan-4-yl]azanium is sourced from PubChem (CID 59718834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).