1-[diazo(dodecoxy)methoxy]dodecane

C25H50N2O2 — CID 150858409

IUPAC1-[diazo(dodecoxy)methoxy]dodecane
SMILESCCCCCCCCCCCCOC(=[N+]=[N-])OCCCCCCCCCCCC
InChIInChI=1S/C25H50N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-28-25(27-26)29-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyKRMGLRSYKZRLSN-UHFFFAOYSA-N
MW410.69 g/mol
LogP8.45
Rot. Bonds22

About 1-[diazo(dodecoxy)methoxy]dodecane

1-[diazo(dodecoxy)methoxy]dodecane (PubChem CID 150858409) has the molecular formula C25H50N2O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 1-[diazo(dodecoxy)methoxy]dodecane.

Molecular Properties

Compound Name1-[diazo(dodecoxy)methoxy]dodecane
PubChem CID150858409
Molecular FormulaC25H50N2O2
Molecular Weight410.69 g/mol
Exact Mass410.39
IUPAC Name1-[diazo(dodecoxy)methoxy]dodecane
SMILESCCCCCCCCCCCCOC(=[N+]=[N-])OCCCCCCCCCCCC
InChIInChI=1S/C25H50N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-28-25(27-26)29-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyKRMGLRSYKZRLSN-UHFFFAOYSA-N
XLogP8.45
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hexyl 2-diazopropanoate
CID 164520840
hexadecyl N-diazocarbamate
CID 13247383
octacosyl carbamate
CID 160925840
triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
dodecoxymethanedithioic acid;undecoxymethanedithioic acid
CID 87409358
azane;nonyl hydrogen carbonate
CID 175306231
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
heptyl octyl carbonate
CID 21498015
ditridecyl oxalate
CID 18377796
dioctyl carbonate
CID 174882674

Frequently Asked Questions

What is the IUPAC name of 1-[diazo(dodecoxy)methoxy]dodecane?
The IUPAC name of 1-[diazo(dodecoxy)methoxy]dodecane (CID 150858409) is 1-[diazo(dodecoxy)methoxy]dodecane.
What is the SMILES notation for 1-[diazo(dodecoxy)methoxy]dodecane?
The canonical SMILES for 1-[diazo(dodecoxy)methoxy]dodecane is CCCCCCCCCCCCOC(=[N+]=[N-])OCCCCCCCCCCCC.
What is the InChIKey of 1-[diazo(dodecoxy)methoxy]dodecane?
The InChIKey is KRMGLRSYKZRLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-28-25(27-26)29-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 1-[diazo(dodecoxy)methoxy]dodecane?
1-[diazo(dodecoxy)methoxy]dodecane has a molecular weight of 410.69 g/mol, XLogP of 8.45, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diazo(dodecoxy)methoxy]dodecane is sourced from PubChem (CID 150858409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).