(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol

C18H35NO — CID 162411426

IUPAC(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol
SMILESCCCCC/C=C\C/C=C\CCCCCC[C@@H](N)CO
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h6-7,9-10,18,20H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-/t18-/m1/s1
InChIKeyHGYYJXBNCKERDL-IEJYPWISSA-N
MW281.48 g/mol
LogP4.73
Rot. Bonds14

About (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol

(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol (PubChem CID 162411426) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol.

Molecular Properties

Compound Name(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol
PubChem CID162411426
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol
SMILESCCCCC/C=C\C/C=C\CCCCCC[C@@H](N)CO
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h6-7,9-10,18,20H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-/t18-/m1/s1
InChIKeyHGYYJXBNCKERDL-IEJYPWISSA-N
XLogP4.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol?
The IUPAC name of (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol (CID 162411426) is (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol.
What is the SMILES notation for (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol?
The canonical SMILES for (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol is CCCCC/C=C\C/C=C\CCCCCC[C@@H](N)CO.
What is the InChIKey of (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol?
The InChIKey is HGYYJXBNCKERDL-IEJYPWISSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h6-7,9-10,18,20H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-/t18-/m1/s1.
What are the key properties of (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol?
(2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol has a molecular weight of 281.48 g/mol, XLogP of 4.73, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9Z,12Z)-2-aminooctadeca-9,12-dien-1-ol is sourced from PubChem (CID 162411426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).