azane;2-dodecoxypropan-2-ol

C15H35NO2 — CID 87960511

IUPACazane;2-dodecoxypropan-2-ol
SMILESCCCCCCCCCCCCOC(C)(C)O.N
InChIInChI=1S/C15H32O2.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15(2,3)16;/h16H,4-14H2,1-3H3;1H3
InChIKeyAIEKXAJRENTKED-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.81
Rot. Bonds12

About azane;2-dodecoxypropan-2-ol

azane;2-dodecoxypropan-2-ol (PubChem CID 87960511) has the molecular formula C15H35NO2 and a molecular weight of 261.45 g/mol. Its IUPAC name is azane;2-dodecoxypropan-2-ol.

Molecular Properties

Compound Nameazane;2-dodecoxypropan-2-ol
PubChem CID87960511
Molecular FormulaC15H35NO2
Molecular Weight261.45 g/mol
Exact Mass261.27
IUPAC Nameazane;2-dodecoxypropan-2-ol
SMILESCCCCCCCCCCCCOC(C)(C)O.N
InChIInChI=1S/C15H32O2.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15(2,3)16;/h16H,4-14H2,1-3H3;1H3
InChIKeyAIEKXAJRENTKED-UHFFFAOYSA-N
XLogP4.81
TPSA64.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxypropane-1,2-diol
CID 87299743
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
2-dodecoxy-2-methyltetradecane
CID 158074564
9-heptoxy-9-methylhenicosane
CID 91127088
2-decoxy-2-methylbutan-1-ol
CID 152517276
2,2-didecoxypropanoic acid
CID 101272673
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147
2-hexoxy-2-methylpropanoic acid
CID 114989010
3-hexoxy-3-methylbutan-2-one
CID 164846460
1-(trichloromethoxy)hexane
CID 87956638
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117

Frequently Asked Questions

What is the IUPAC name of azane;2-dodecoxypropan-2-ol?
The IUPAC name of azane;2-dodecoxypropan-2-ol (CID 87960511) is azane;2-dodecoxypropan-2-ol.
What is the SMILES notation for azane;2-dodecoxypropan-2-ol?
The canonical SMILES for azane;2-dodecoxypropan-2-ol is CCCCCCCCCCCCOC(C)(C)O.N.
What is the InChIKey of azane;2-dodecoxypropan-2-ol?
The InChIKey is AIEKXAJRENTKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15(2,3)16;/h16H,4-14H2,1-3H3;1H3.
What are the key properties of azane;2-dodecoxypropan-2-ol?
azane;2-dodecoxypropan-2-ol has a molecular weight of 261.45 g/mol, XLogP of 4.81, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-dodecoxypropan-2-ol is sourced from PubChem (CID 87960511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).