[deuterio(diethoxy)methoxy]ethane

C7H16O3 — CID 10877289

IUPAC[deuterio(diethoxy)methoxy]ethane
SMILES[2H]C(OCC)(OCC)OCC
InChIInChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3/i7D
InChIKeyGKASDNZWUGIAMG-WHRKIXHSSA-N
MW149.21 g/mol
LogP1.38
Rot. Bonds6

About [deuterio(diethoxy)methoxy]ethane

[deuterio(diethoxy)methoxy]ethane (PubChem CID 10877289) has the molecular formula C7H16O3 and a molecular weight of 149.21 g/mol. Its IUPAC name is [deuterio(diethoxy)methoxy]ethane.

Molecular Properties

Compound Name[deuterio(diethoxy)methoxy]ethane
PubChem CID10877289
Molecular FormulaC7H16O3
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name[deuterio(diethoxy)methoxy]ethane
SMILES[2H]C(OCC)(OCC)OCC
InChIInChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3/i7D
InChIKeyGKASDNZWUGIAMG-WHRKIXHSSA-N
XLogP1.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
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 [deuterio(diethoxy)methoxy]ethane?
The IUPAC name of [deuterio(diethoxy)methoxy]ethane (CID 10877289) is [deuterio(diethoxy)methoxy]ethane.
What is the SMILES notation for [deuterio(diethoxy)methoxy]ethane?
The canonical SMILES for [deuterio(diethoxy)methoxy]ethane is [2H]C(OCC)(OCC)OCC.
What is the InChIKey of [deuterio(diethoxy)methoxy]ethane?
The InChIKey is GKASDNZWUGIAMG-WHRKIXHSSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3/i7D.
What are the key properties of [deuterio(diethoxy)methoxy]ethane?
[deuterio(diethoxy)methoxy]ethane has a molecular weight of 149.21 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [deuterio(diethoxy)methoxy]ethane is sourced from PubChem (CID 10877289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).