1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane

C10H19NO4 — CID 58831476

IUPAC1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
SMILES[C-]#[N+]CCOCCOCCOCCOC
InChIInChI=1S/C10H19NO4/c1-11-3-4-13-7-8-15-10-9-14-6-5-12-2/h3-10H2,2H3
InChIKeyDNVGDXHSZIDSOF-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.60
Rot. Bonds11

About 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane

1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane (PubChem CID 58831476) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane.

Molecular Properties

Compound Name1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
PubChem CID58831476
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
SMILES[C-]#[N+]CCOCCOCCOCCOC
InChIInChI=1S/C10H19NO4/c1-11-3-4-13-7-8-15-10-9-14-6-5-12-2/h3-10H2,2H3
InChIKeyDNVGDXHSZIDSOF-UHFFFAOYSA-N
XLogP0.60
TPSA41.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[2-(2-isocyanoethoxy)ethoxy]-N-methylethanamine
CID 159488608
2-(2-isocyanoethoxy)ethoxy-trimethylsilane
CID 140916140
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethane
CID 140812368
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571

Frequently Asked Questions

What is the IUPAC name of 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
The IUPAC name of 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane (CID 58831476) is 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane.
What is the SMILES notation for 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
The canonical SMILES for 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane is [C-]#[N+]CCOCCOCCOCCOC.
What is the InChIKey of 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
The InChIKey is DNVGDXHSZIDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-11-3-4-13-7-8-15-10-9-14-6-5-12-2/h3-10H2,2H3.
What are the key properties of 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane?
1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane has a molecular weight of 217.26 g/mol, XLogP of 0.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane is sourced from PubChem (CID 58831476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).