ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene

C24H38O2 — CID 145045584

IUPACethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
SMILESC=C/C=C\C(=C)OC(=C)/C=C\C(=C)O/C(C)=C/C=C\CCC.CC.CC
InChIInChI=1S/C20H26O2.2C2H6/c1-7-9-11-12-14-18(4)22-20(6)16-15-19(5)21-17(3)13-10-8-2;2*1-2/h8,10-16H,2-3,5-7,9H2,1,4H3;2*1-2H3/b12-11-,13-10-,16-15-,18-14+;;
InChIKeyZBYQHMAQOGSKIG-BDBGZYLVSA-N
MW358.57 g/mol
LogP8.17
Rot. Bonds11

About ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene

ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene (PubChem CID 145045584) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene.

Molecular Properties

Compound Nameethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
PubChem CID145045584
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Nameethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
SMILESC=C/C=C\C(=C)OC(=C)/C=C\C(=C)O/C(C)=C/C=C\CCC.CC.CC
InChIInChI=1S/C20H26O2.2C2H6/c1-7-9-11-12-14-18(4)22-20(6)16-15-19(5)21-17(3)13-10-8-2;2*1-2/h8,10-16H,2-3,5-7,9H2,1,4H3;2*1-2H3/b12-11-,13-10-,16-15-,18-14+;;
InChIKeyZBYQHMAQOGSKIG-BDBGZYLVSA-N
XLogP8.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene with MolForge

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Related Compounds

(3Z)-hepta-1,3-diene
CID 6427773
[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
CID 130278986
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511
3-methylnona-1,3,5-triene
CID 154088357
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
(2E,4E)-2-prop-2-enoxynona-2,4-diene
CID 87210955
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
(3Z,5Z,9Z)-2-[(3Z)-penta-1,3-dien-2-yl]oxyundeca-1,3,5,9-tetraene
CID 170006529
2-methylhepta-1,3-diene
CID 54310621
(3E)-2-methylhepta-1,3-diene
CID 12928201

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene?
The IUPAC name of ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene (CID 145045584) is ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene.
What is the SMILES notation for ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene?
The canonical SMILES for ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene is C=C/C=C\C(=C)OC(=C)/C=C\C(=C)O/C(C)=C/C=C\CCC.CC.CC.
What is the InChIKey of ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene?
The InChIKey is ZBYQHMAQOGSKIG-BDBGZYLVSA-N. The full InChI is InChI=1S/C20H26O2.2C2H6/c1-7-9-11-12-14-18(4)22-20(6)16-15-19(5)21-17(3)13-10-8-2;2*1-2/h8,10-16H,2-3,5-7,9H2,1,4H3;2*1-2H3/b12-11-,13-10-,16-15-,18-14+;;.
What are the key properties of ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene?
ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene has a molecular weight of 358.57 g/mol, XLogP of 8.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene is sourced from PubChem (CID 145045584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).