(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol

C14H27NO2 — CID 42608347

IUPAC(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol
SMILESCCCCCCC/C=C/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1
InChIKeyUWJZVNRNKDOZCA-LNFMSFKKSA-N
MW241.38 g/mol
LogP2.14
Rot. Bonds10

About (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol

(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol (PubChem CID 42608347) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol
PubChem CID42608347
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol
SMILESCCCCCCC/C=C/C=C/[C@@H](O)[C@@H](N)CO
InChIInChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1
InChIKeyUWJZVNRNKDOZCA-LNFMSFKKSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol?
The IUPAC name of (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol (CID 42608347) is (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol.
What is the SMILES notation for (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol?
The canonical SMILES for (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol is CCCCCCC/C=C/C=C/[C@@H](O)[C@@H](N)CO.
What is the InChIKey of (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol?
The InChIKey is UWJZVNRNKDOZCA-LNFMSFKKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h8-11,13-14,16-17H,2-7,12,15H2,1H3/b9-8+,11-10+/t13-,14+/m0/s1.
What are the key properties of (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol?
(2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol has a molecular weight of 241.38 g/mol, XLogP of 2.14, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4E,6E)-2-aminotetradeca-4,6-diene-1,3-diol is sourced from PubChem (CID 42608347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).