(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol

C13H23NO — CID 146226419

IUPAC(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol
SMILESC/C=C\C=C(/C=C\C(C)C)C[C@@H](N)CO
InChIInChI=1S/C13H23NO/c1-4-5-6-12(8-7-11(2)3)9-13(14)10-15/h4-8,11,13,15H,9-10,14H2,1-3H3/b5-4-,8-7-,12-6+/t13-/m1/s1
InChIKeyGOZWERNRFZDVMF-SISDOODFSA-N
MW209.33 g/mol
LogP2.41
Rot. Bonds6

About (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol

(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol (PubChem CID 146226419) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol.

Molecular Properties

Compound Name(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol
PubChem CID146226419
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol
SMILESC/C=C\C=C(/C=C\C(C)C)C[C@@H](N)CO
InChIInChI=1S/C13H23NO/c1-4-5-6-12(8-7-11(2)3)9-13(14)10-15/h4-8,11,13,15H,9-10,14H2,1-3H3/b5-4-,8-7-,12-6+/t13-/m1/s1
InChIKeyGOZWERNRFZDVMF-SISDOODFSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol?
The IUPAC name of (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol (CID 146226419) is (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol.
What is the SMILES notation for (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol?
The canonical SMILES for (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol is C/C=C\C=C(/C=C\C(C)C)C[C@@H](N)CO.
What is the InChIKey of (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol?
The InChIKey is GOZWERNRFZDVMF-SISDOODFSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-6-12(8-7-11(2)3)9-13(14)10-15/h4-8,11,13,15H,9-10,14H2,1-3H3/b5-4-,8-7-,12-6+/t13-/m1/s1.
What are the key properties of (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol?
(2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z,6Z)-2-amino-4-[(Z)-3-methylbut-1-enyl]octa-4,6-dien-1-ol is sourced from PubChem (CID 146226419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).