[ethoxy(isocyano)methoxy]ethane

C6H11NO2 — CID 23541376

IUPAC[ethoxy(isocyano)methoxy]ethane
SMILES[C-]#[N+]C(OCC)OCC
InChIInChI=1S/C6H11NO2/c1-4-8-6(7-3)9-5-2/h6H,4-5H2,1-2H3
InChIKeyIQBYFOURMQHHFE-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.26
Rot. Bonds4

About [ethoxy(isocyano)methoxy]ethane

[ethoxy(isocyano)methoxy]ethane (PubChem CID 23541376) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is [ethoxy(isocyano)methoxy]ethane.

Molecular Properties

Compound Name[ethoxy(isocyano)methoxy]ethane
PubChem CID23541376
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name[ethoxy(isocyano)methoxy]ethane
SMILES[C-]#[N+]C(OCC)OCC
InChIInChI=1S/C6H11NO2/c1-4-8-6(7-3)9-5-2/h6H,4-5H2,1-2H3
InChIKeyIQBYFOURMQHHFE-UHFFFAOYSA-N
XLogP1.26
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-diethoxy-2-isocyanobutanenitrile
CID 88534515
1,1,7,7-tetraethoxyheptan-4-amine
CID 10469545
1,1-diethoxyethane
CID 7765
[[ethoxy(methoxy)methoxy]-methoxymethoxy]ethane
CID 22011246
1,1-diethoxyethane;sulfane
CID 87563963
diethoxymethanamine;hydrochloride
CID 175125355
1,1-diethoxyethane;stannane
CID 87529398
CID 165175162
CID 165175162
[deuterio(diethoxy)methoxy]ethane
CID 10877289
dichloromethoxyethane
CID 12643245
2-ethoxypropane;zinc
CID 174321747
(1,1,2-triethoxy-3-isocyanopropyl)silane
CID 123656477

Frequently Asked Questions

What is the IUPAC name of [ethoxy(isocyano)methoxy]ethane?
The IUPAC name of [ethoxy(isocyano)methoxy]ethane (CID 23541376) is [ethoxy(isocyano)methoxy]ethane.
What is the SMILES notation for [ethoxy(isocyano)methoxy]ethane?
The canonical SMILES for [ethoxy(isocyano)methoxy]ethane is [C-]#[N+]C(OCC)OCC.
What is the InChIKey of [ethoxy(isocyano)methoxy]ethane?
The InChIKey is IQBYFOURMQHHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-8-6(7-3)9-5-2/h6H,4-5H2,1-2H3.
What are the key properties of [ethoxy(isocyano)methoxy]ethane?
[ethoxy(isocyano)methoxy]ethane has a molecular weight of 129.16 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(isocyano)methoxy]ethane is sourced from PubChem (CID 23541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).