azane;3-ethylhenicosan-1-ol

C23H51NO — CID 174815540

IUPACazane;3-ethylhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(CC)CCO.N
InChIInChI=1S/C23H48O.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)21-22-24;/h23-24H,3-22H2,1-2H3;1H3
InChIKeyQOGFDSCPMLMSIA-UHFFFAOYSA-N
MW357.67 g/mol
LogP8.21
Rot. Bonds20

About azane;3-ethylhenicosan-1-ol

azane;3-ethylhenicosan-1-ol (PubChem CID 174815540) has the molecular formula C23H51NO and a molecular weight of 357.67 g/mol. Its IUPAC name is azane;3-ethylhenicosan-1-ol.

Molecular Properties

Compound Nameazane;3-ethylhenicosan-1-ol
PubChem CID174815540
Molecular FormulaC23H51NO
Molecular Weight357.67 g/mol
Exact Mass357.40
IUPAC Nameazane;3-ethylhenicosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCC(CC)CCO.N
InChIInChI=1S/C23H48O.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)21-22-24;/h23-24H,3-22H2,1-2H3;1H3
InChIKeyQOGFDSCPMLMSIA-UHFFFAOYSA-N
XLogP8.21
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.67
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
(2R)-2-heptylbutane-1,4-diol
CID 129405629
(2S)-2-octylbutane-1,4-diol
CID 71417147

Frequently Asked Questions

What is the IUPAC name of azane;3-ethylhenicosan-1-ol?
The IUPAC name of azane;3-ethylhenicosan-1-ol (CID 174815540) is azane;3-ethylhenicosan-1-ol.
What is the SMILES notation for azane;3-ethylhenicosan-1-ol?
The canonical SMILES for azane;3-ethylhenicosan-1-ol is CCCCCCCCCCCCCCCCCCC(CC)CCO.N.
What is the InChIKey of azane;3-ethylhenicosan-1-ol?
The InChIKey is QOGFDSCPMLMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O.H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(4-2)21-22-24;/h23-24H,3-22H2,1-2H3;1H3.
What are the key properties of azane;3-ethylhenicosan-1-ol?
azane;3-ethylhenicosan-1-ol has a molecular weight of 357.67 g/mol, XLogP of 8.21, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethylhenicosan-1-ol is sourced from PubChem (CID 174815540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).