(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol

C10H17NO3 — CID 89167905

IUPAC(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(OC)\C(=C/CCN)OC
InChIInChI=1S/C10H17NO3/c1-4-8(12)10(14-3)9(13-2)6-5-7-11/h4,6,12H,1,5,7,11H2,2-3H3/b9-6+,10-8-
InChIKeyAOIDALAZMCVCRO-BXXMFMFASA-N
MW199.25 g/mol
LogP1.47
Rot. Bonds6

About (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol

(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol (PubChem CID 89167905) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol
PubChem CID89167905
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(OC)\C(=C/CCN)OC
InChIInChI=1S/C10H17NO3/c1-4-8(12)10(14-3)9(13-2)6-5-7-11/h4,6,12H,1,5,7,11H2,2-3H3/b9-6+,10-8-
InChIKeyAOIDALAZMCVCRO-BXXMFMFASA-N
XLogP1.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol?
The IUPAC name of (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol (CID 89167905) is (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol?
The canonical SMILES for (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol is C=C/C(O)=C(OC)\C(=C/CCN)OC.
What is the InChIKey of (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol?
The InChIKey is AOIDALAZMCVCRO-BXXMFMFASA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-8(12)10(14-3)9(13-2)6-5-7-11/h4,6,12H,1,5,7,11H2,2-3H3/b9-6+,10-8-.
What are the key properties of (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol?
(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol has a molecular weight of 199.25 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol is sourced from PubChem (CID 89167905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).