2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol

C11H23N3O3 — CID 102452687

IUPAC2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COCCCCCCN=[N+]=[N-]
InChIInChI=1S/C11H23N3O3/c1-11(8-15,9-16)10-17-7-5-3-2-4-6-13-14-12/h15-16H,2-10H2,1H3
InChIKeyUQMPLWSHIDLYRI-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.86
Rot. Bonds11

About 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol

2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol (PubChem CID 102452687) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
PubChem CID102452687
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)COCCCCCCN=[N+]=[N-]
InChIInChI=1S/C11H23N3O3/c1-11(8-15,9-16)10-17-7-5-3-2-4-6-13-14-12/h15-16H,2-10H2,1H3
InChIKeyUQMPLWSHIDLYRI-UHFFFAOYSA-N
XLogP1.86
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
1,5-bis(2-azidoethoxy)pentane
CID 130260836
tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
CID 135390378
6-(7-azidoheptoxy)-2-tert-butylhexanoic acid
CID 138694284
4-(4-azidobutoxy)butan-1-amine
CID 151331524
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
1-azido-3-(2-azidoethoxy)propane
CID 161084189
1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
1,14-diazidotetradecane
CID 146463967
3-azido-2-(azidomethyl)-2-methylpropan-1-ol
CID 14128692
6-azidohexan-1-ol
CID 11051778
8-azidooctan-1-ol
CID 11789665

Frequently Asked Questions

What is the IUPAC name of 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol (CID 102452687) is 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol is CC(CO)(CO)COCCCCCCN=[N+]=[N-].
What is the InChIKey of 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol?
The InChIKey is UQMPLWSHIDLYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(8-15,9-16)10-17-7-5-3-2-4-6-13-14-12/h15-16H,2-10H2,1H3.
What are the key properties of 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol?
2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol has a molecular weight of 245.32 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azidohexoxymethyl)-2-methylpropane-1,3-diol is sourced from PubChem (CID 102452687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).