(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol

C31H48N2O — CID 139542209

IUPAC(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol
SMILESC=C/C=C(\C=C)CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C)CC(=C/C)/C(C)=C\C
InChIInChI=1S/C31H48N2O/c1-10-18-27(13-4)22-32(24-29(15-6)26(9)12-3)20-21-33(23-28(14-5)19-11-2)25-30(16-7)31(34)17-8/h10-19,34H,1,4,20-25H2,2-3,5-9H3/b19-11-,26-12-,27-18+,28-14+,29-15-,30-16-,31-17+
InChIKeyCCCVYSWYTVDGFS-PMFXETSXSA-N
MW464.74 g/mol
LogP7.73
Rot. Bonds16

About (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol

(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol (PubChem CID 139542209) has the molecular formula C31H48N2O and a molecular weight of 464.74 g/mol. Its IUPAC name is (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol
PubChem CID139542209
Molecular FormulaC31H48N2O
Molecular Weight464.74 g/mol
Exact Mass464.38
IUPAC Name(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol
SMILESC=C/C=C(\C=C)CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C)CC(=C/C)/C(C)=C\C
InChIInChI=1S/C31H48N2O/c1-10-18-27(13-4)22-32(24-29(15-6)26(9)12-3)20-21-33(23-28(14-5)19-11-2)25-30(16-7)31(34)17-8/h10-19,34H,1,4,20-25H2,2-3,5-9H3/b19-11-,26-12-,27-18+,28-14+,29-15-,30-16-,31-17+
InChIKeyCCCVYSWYTVDGFS-PMFXETSXSA-N
XLogP7.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol?
The IUPAC name of (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol (CID 139542209) is (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol.
What is the SMILES notation for (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol?
The canonical SMILES for (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol is C=C/C=C(\C=C)CN(CCN(CC(=C/C)/C(O)=C\C)CC(/C=C\C)=C/C)CC(=C/C)/C(C)=C\C.
What is the InChIKey of (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol?
The InChIKey is CCCVYSWYTVDGFS-PMFXETSXSA-N. The full InChI is InChI=1S/C31H48N2O/c1-10-18-27(13-4)22-32(24-29(15-6)26(9)12-3)20-21-33(23-28(14-5)19-11-2)25-30(16-7)31(34)17-8/h10-19,34H,1,4,20-25H2,2-3,5-9H3/b19-11-,26-12-,27-18+,28-14+,29-15-,30-16-,31-17+.
What are the key properties of (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol?
(2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol has a molecular weight of 464.74 g/mol, XLogP of 7.73, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-[[2-[[(2E)-2-ethenylpenta-2,4-dienyl]-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]amino]ethyl-[(Z,2E)-2-ethylidenepent-3-enyl]amino]methyl]hexa-2,4-dien-3-ol is sourced from PubChem (CID 139542209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).