hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol

C34H76N2O3 — CID 168924421

IUPAChexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol
SMILESC=CCCCCCCN(O)CCNO.CCCCCCCCCCCCCCCC.CCCCCCCCO.[H][H]
InChIInChI=1S/C16H34.C10H22N2O2.C8H18O.H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-9-12(14)10-8-11-13;1-2-3-4-5-6-7-8-9;/h3-16H2,1-2H3;2,11,13-14H,1,3-10H2;9H,2-8H2,1H3;1H
InChIKeyXMQMYJKAYBIYKH-UHFFFAOYSA-N
MW560.99 g/mol
LogP10.87
Rot. Bonds29

About hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol

hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol (PubChem CID 168924421) has the molecular formula C34H76N2O3 and a molecular weight of 560.99 g/mol. Its IUPAC name is hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol.

Molecular Properties

Compound Namehexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol
PubChem CID168924421
Molecular FormulaC34H76N2O3
Molecular Weight560.99 g/mol
Exact Mass560.59
IUPAC Namehexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol
SMILESC=CCCCCCCN(O)CCNO.CCCCCCCCCCCCCCCC.CCCCCCCCO.[H][H]
InChIInChI=1S/C16H34.C10H22N2O2.C8H18O.H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-9-12(14)10-8-11-13;1-2-3-4-5-6-7-8-9;/h3-16H2,1-2H3;2,11,13-14H,1,3-10H2;9H,2-8H2,1H3;1H
InChIKeyXMQMYJKAYBIYKH-UHFFFAOYSA-N
XLogP10.87
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.99
LogP ≤ 510.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

heptan-1-ol;hex-1-ene
CID 141435277
dec-1-ene;ethane-1,2-diol
CID 87306411
decan-1-ol;dec-9-en-1-ol;trichlororhodium
CID 158308896
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144

Frequently Asked Questions

What is the IUPAC name of hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol?
The IUPAC name of hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol (CID 168924421) is hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol.
What is the SMILES notation for hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol?
The canonical SMILES for hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol is C=CCCCCCCN(O)CCNO.CCCCCCCCCCCCCCCC.CCCCCCCCO.[H][H].
What is the InChIKey of hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol?
The InChIKey is XMQMYJKAYBIYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C10H22N2O2.C8H18O.H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-9-12(14)10-8-11-13;1-2-3-4-5-6-7-8-9;/h3-16H2,1-2H3;2,11,13-14H,1,3-10H2;9H,2-8H2,1H3;1H.
What are the key properties of hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol?
hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol has a molecular weight of 560.99 g/mol, XLogP of 10.87, 29 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;N-[2-(hydroxyamino)ethyl]-N-oct-7-enylhydroxylamine;molecular hydrogen;octan-1-ol is sourced from PubChem (CID 168924421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).