2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol

C8H17NO4 — CID 130645018

IUPAC2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol
SMILESCON(CCO)CCC1OCCO1
InChIInChI=1S/C8H17NO4/c1-11-9(4-5-10)3-2-8-12-6-7-13-8/h8,10H,2-7H2,1H3
InChIKeyXVIWCLJQQUNGKQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.39
Rot. Bonds6

About 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol

2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol (PubChem CID 130645018) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol
PubChem CID130645018
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol
SMILESCON(CCO)CCC1OCCO1
InChIInChI=1S/C8H17NO4/c1-11-9(4-5-10)3-2-8-12-6-7-13-8/h8,10H,2-7H2,1H3
InChIKeyXVIWCLJQQUNGKQ-UHFFFAOYSA-N
XLogP-0.39
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol (CID 130645018) is 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol is CON(CCO)CCC1OCCO1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol?
The InChIKey is XVIWCLJQQUNGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-11-9(4-5-10)3-2-8-12-6-7-13-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol?
2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol has a molecular weight of 191.23 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)ethyl-methoxyamino]ethanol is sourced from PubChem (CID 130645018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).