trihydroxy(icos-11-en-2-yl)azanium

C20H42NO3+ — CID 54526897

IUPACtrihydroxy(icos-11-en-2-yl)azanium
SMILESCCCCCCCCC=CCCCCCCCCC(C)[N+](O)(O)O
InChIInChI=1S/C20H42NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22,23)24/h10-11,20,22-24H,3-9,12-19H2,1-2H3/q+1
InChIKeyYTTGLCPGNXOHFS-UHFFFAOYSA-N
MW344.56 g/mol
LogP6.79
Rot. Bonds17

About trihydroxy(icos-11-en-2-yl)azanium

trihydroxy(icos-11-en-2-yl)azanium (PubChem CID 54526897) has the molecular formula C20H42NO3+ and a molecular weight of 344.56 g/mol. Its IUPAC name is trihydroxy(icos-11-en-2-yl)azanium.

Molecular Properties

Compound Nametrihydroxy(icos-11-en-2-yl)azanium
PubChem CID54526897
Molecular FormulaC20H42NO3+
Molecular Weight344.56 g/mol
Exact Mass344.32
IUPAC Nametrihydroxy(icos-11-en-2-yl)azanium
SMILESCCCCCCCCC=CCCCCCCCCC(C)[N+](O)(O)O
InChIInChI=1S/C20H42NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22,23)24/h10-11,20,22-24H,3-9,12-19H2,1-2H3/q+1
InChIKeyYTTGLCPGNXOHFS-UHFFFAOYSA-N
XLogP6.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.56
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-octacos-19-ene-10,11-diol
CID 87651448
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
icos-9-en-2-ol
CID 91416664
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
2-methylhenicos-9-ene
CID 54211724
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
octacos-21-en-10-ol
CID 163011476
(Z)-14-methyltricos-9-ene
CID 15730850

Frequently Asked Questions

What is the IUPAC name of trihydroxy(icos-11-en-2-yl)azanium?
The IUPAC name of trihydroxy(icos-11-en-2-yl)azanium (CID 54526897) is trihydroxy(icos-11-en-2-yl)azanium.
What is the SMILES notation for trihydroxy(icos-11-en-2-yl)azanium?
The canonical SMILES for trihydroxy(icos-11-en-2-yl)azanium is CCCCCCCCC=CCCCCCCCCC(C)[N+](O)(O)O.
What is the InChIKey of trihydroxy(icos-11-en-2-yl)azanium?
The InChIKey is YTTGLCPGNXOHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22,23)24/h10-11,20,22-24H,3-9,12-19H2,1-2H3/q+1.
What are the key properties of trihydroxy(icos-11-en-2-yl)azanium?
trihydroxy(icos-11-en-2-yl)azanium has a molecular weight of 344.56 g/mol, XLogP of 6.79, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(icos-11-en-2-yl)azanium is sourced from PubChem (CID 54526897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).