(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol

C23H43NO3 — CID 70019034

IUPAC(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C(O)(O)CC)C1(N)CCO1
InChIInChI=1S/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23(25,26)4-2)22(24)19-20-27-22/h8-9,11-12,21,25-26H,3-7,10,13-20,24H2,1-2H3/b9-8-,12-11-
InChIKeyVILAEVMMRDMWOZ-MURFETPASA-N
MW381.60 g/mol
LogP5.19
Rot. Bonds16

About (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol

(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol (PubChem CID 70019034) has the molecular formula C23H43NO3 and a molecular weight of 381.60 g/mol. Its IUPAC name is (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol.

Molecular Properties

Compound Name(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol
PubChem CID70019034
Molecular FormulaC23H43NO3
Molecular Weight381.60 g/mol
Exact Mass381.32
IUPAC Name(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C(O)(O)CC)C1(N)CCO1
InChIInChI=1S/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23(25,26)4-2)22(24)19-20-27-22/h8-9,11-12,21,25-26H,3-7,10,13-20,24H2,1-2H3/b9-8-,12-11-
InChIKeyVILAEVMMRDMWOZ-MURFETPASA-N
XLogP5.19
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol with MolForge

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Related Compounds

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(6Z,9Z)-nonadeca-6,9-diene
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CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(9Z,12Z)-octadeca-9,12-dien-4-amine
CID 140562602
(9Z,12Z)-2-(dihydroxymethyl)octadeca-9,12-dienoic acid
CID 141316227
2-methylicosa-11,14-dienamide
CID 175746328
2-[(Z)-hexadec-7-enyl]oxetane-2-carboxylic acid
CID 69411917
19-propyltritriaconta-6,9,24-triene
CID 54372361
nonadeca-7,10,13-trien-2-ol
CID 54048695
19,21-di(heptadecyl)nonatriaconta-6,9,30,33-tetraen-20-one
CID 123225204
(Z)-2-aminoicos-11-ene-1,1,1-triol;hydrobromide
CID 173363645

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol?
The IUPAC name of (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol (CID 70019034) is (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol.
What is the SMILES notation for (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol?
The canonical SMILES for (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol is CCCCC/C=C\C/C=C\CCCCCCC(C(O)(O)CC)C1(N)CCO1.
What is the InChIKey of (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol?
The InChIKey is VILAEVMMRDMWOZ-MURFETPASA-N. The full InChI is InChI=1S/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23(25,26)4-2)22(24)19-20-27-22/h8-9,11-12,21,25-26H,3-7,10,13-20,24H2,1-2H3/b9-8-,12-11-.
What are the key properties of (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol?
(11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol has a molecular weight of 381.60 g/mol, XLogP of 5.19, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-4-(2-aminooxetan-2-yl)icosa-11,14-diene-3,3-diol is sourced from PubChem (CID 70019034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).