1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane

C32H65N3O6 — CID 171471401

IUPAC1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C32H65N3O6/c1-2-3-4-5-6-12-15-18-21-36-23-25-38-27-29-40-31-32-41-30-28-39-26-24-37-22-19-16-13-10-8-7-9-11-14-17-20-34-35-33/h2-32H2,1H3
InChIKeyDSMZKZNMWAADFW-UHFFFAOYSA-N
MW587.89 g/mol
LogP8.44
Rot. Bonds37

About 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane

1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane (PubChem CID 171471401) has the molecular formula C32H65N3O6 and a molecular weight of 587.89 g/mol. Its IUPAC name is 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane.

Molecular Properties

Compound Name1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
PubChem CID171471401
Molecular FormulaC32H65N3O6
Molecular Weight587.89 g/mol
Exact Mass587.49
IUPAC Name1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCN=[N+]=[N-]
InChIInChI=1S/C32H65N3O6/c1-2-3-4-5-6-12-15-18-21-36-23-25-38-27-29-40-31-32-41-30-28-39-26-24-37-22-19-16-13-10-8-7-9-11-14-17-20-34-35-33/h2-32H2,1H3
InChIKeyDSMZKZNMWAADFW-UHFFFAOYSA-N
XLogP8.44
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds37
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.89
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
1-azidooctane;hydrochloride
CID 175871639
1,5-bis(2-azidoethoxy)pentane
CID 130260836
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354

Frequently Asked Questions

What is the IUPAC name of 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane?
The IUPAC name of 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane (CID 171471401) is 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane.
What is the SMILES notation for 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane?
The canonical SMILES for 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane is CCCCCCCCCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCN=[N+]=[N-].
What is the InChIKey of 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane?
The InChIKey is DSMZKZNMWAADFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65N3O6/c1-2-3-4-5-6-12-15-18-21-36-23-25-38-27-29-40-31-32-41-30-28-39-26-24-37-22-19-16-13-10-8-7-9-11-14-17-20-34-35-33/h2-32H2,1H3.
What are the key properties of 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane?
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane has a molecular weight of 587.89 g/mol, XLogP of 8.44, 37 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane is sourced from PubChem (CID 171471401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).