(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol

C14H20N2O2 — CID 123572870

IUPAC(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
SMILESC/C=C(/C=N/C)C(\O)=C\C=C(O)/C(=C\C)/C=N/C
InChIInChI=1S/C14H20N2O2/c1-5-11(9-15-3)13(17)7-8-14(18)12(6-2)10-16-4/h5-10,17-18H,1-4H3/b11-5-,12-6-,13-7-,14-8+,15-9+,16-10+
InChIKeyBGBHBEKPEPIDQD-PHOYDXOISA-N
MW248.33 g/mol
LogP3.16
Rot. Bonds5

About (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol

(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol (PubChem CID 123572870) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol.

Molecular Properties

Compound Name(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
PubChem CID123572870
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol
SMILESC/C=C(/C=N/C)C(\O)=C\C=C(O)/C(=C\C)/C=N/C
InChIInChI=1S/C14H20N2O2/c1-5-11(9-15-3)13(17)7-8-14(18)12(6-2)10-16-4/h5-10,17-18H,1-4H3/b11-5-,12-6-,13-7-,14-8+,15-9+,16-10+
InChIKeyBGBHBEKPEPIDQD-PHOYDXOISA-N
XLogP3.16
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxybenzene-3,5-diid-1-yl)-N-methylmethanimine oxide;bis(rhodium)
CID 60128775
(4Z)-4-[[(1E,3Z)-2-hydroxy-3-methanimidoylpenta-1,3-dienyl]iminomethyl]-2-methylhexa-2,4-dien-3-ol
CID 88915912
(4Z)-4-[[[(1Z,3Z)-2-hydroxy-3-(methyliminomethyl)penta-1,3-dienyl]-methylazaniumylidene]methyl]-2-methylhexa-2,4-dien-3-olate
CID 88938119
(1Z,3Z)-1-[(3R)-3,6-dimethylcyclohexa-1,5-dien-1-yl]-2-(methyliminomethyl)hexa-1,3-dien-3-ol
CID 89339538
ethane;[(Z)-2-[2-[[(2Z)-2-ethylidene-3-hydroxy-4-methylpent-3-enylidene]amino]-1-hydroxyethenyl]but-2-enylidene]azanium
CID 123283256
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol;ethane
CID 123572869
(2E,4Z)-4-methanimidoylhepta-2,4,6-trien-3-ol
CID 126695369
5-methyl-2H-azepin-4-ol
CID 141792207
(3E,5Z)-5-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hepta-1,3,5-trien-4-ol
CID 143182631
copper;(3Z)-3-[2-[[(2Z)-2-(1-hydroxyethenyl)penta-2,4-dienylidene]amino]ethyliminomethyl]hexa-1,3,5-trien-2-ol
CID 143271078
(2E,4Z)-4-methanimidoyl-6-methylhepta-2,4,6-trien-3-ol
CID 143341071
6-(Methyliminomethyl)cyclohepta-1,4,6-trien-1-ol
CID 144146923

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol?
The IUPAC name of (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol (CID 123572870) is (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol.
What is the SMILES notation for (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol?
The canonical SMILES for (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol is C/C=C(/C=N/C)C(\O)=C\C=C(O)/C(=C\C)/C=N/C.
What is the InChIKey of (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol?
The InChIKey is BGBHBEKPEPIDQD-PHOYDXOISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-11(9-15-3)13(17)7-8-14(18)12(6-2)10-16-4/h5-10,17-18H,1-4H3/b11-5-,12-6-,13-7-,14-8+,15-9+,16-10+.
What are the key properties of (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol?
(2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol has a molecular weight of 248.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8Z)-3,8-bis(methyliminomethyl)deca-2,4,6,8-tetraene-4,7-diol is sourced from PubChem (CID 123572870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).