(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline

C28H36N2O2 — CID 129074772

IUPAC(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline
SMILESC/C=c1\c(=C/C)c2nc(C)cnc2c2c(C(C)CCCO/C(C)=C\C(C)OC)cccc12
InChIInChI=1S/C28H36N2O2/c1-8-22-23(9-2)27-28(29-17-19(4)30-27)26-24(13-10-14-25(22)26)18(3)12-11-15-32-21(6)16-20(5)31-7/h8-10,13-14,16-18,20H,11-12,15H2,1-7H3/b21-16-,22-8+,23-9+
InChIKeyMJFRYASSTMAEFA-ATXBIOQJSA-N
MW432.61 g/mol
LogP5.53
Rot. Bonds8

About (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline

(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline (PubChem CID 129074772) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline.

Molecular Properties

Compound Name(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline
PubChem CID129074772
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline
SMILESC/C=c1\c(=C/C)c2nc(C)cnc2c2c(C(C)CCCO/C(C)=C\C(C)OC)cccc12
InChIInChI=1S/C28H36N2O2/c1-8-22-23(9-2)27-28(29-17-19(4)30-27)26-24(13-10-14-25(22)26)18(3)12-11-15-32-21(6)16-20(5)31-7/h8-10,13-14,16-18,20H,11-12,15H2,1-7H3/b21-16-,22-8+,23-9+
InChIKeyMJFRYASSTMAEFA-ATXBIOQJSA-N
XLogP5.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline?
The IUPAC name of (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline (CID 129074772) is (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline.
What is the SMILES notation for (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline?
The canonical SMILES for (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline is C/C=c1\c(=C/C)c2nc(C)cnc2c2c(C(C)CCCO/C(C)=C\C(C)OC)cccc12.
What is the InChIKey of (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline?
The InChIKey is MJFRYASSTMAEFA-ATXBIOQJSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-8-22-23(9-2)27-28(29-17-19(4)30-27)26-24(13-10-14-25(22)26)18(3)12-11-15-32-21(6)16-20(5)31-7/h8-10,13-14,16-18,20H,11-12,15H2,1-7H3/b21-16-,22-8+,23-9+.
What are the key properties of (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline?
(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline has a molecular weight of 432.61 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline is sourced from PubChem (CID 129074772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).