(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane

C21H32 — CID 144946763

IUPAC(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
SMILESC=C/C=C\C(C=CC#CC(/C=C\C)=C/C)=C/C.CC.CC
InChIInChI=1S/C17H20.2C2H6/c1-5-9-13-17(8-4)15-11-10-14-16(7-3)12-6-2;2*1-2/h5-9,11-13,15H,1H2,2-4H3;2*1-2H3/b12-6-,13-9-,15-11?,16-7+,17-8+;;
InChIKeyDGWIHZSCRMGGCU-KZNUPIBVSA-N
MW284.49 g/mol
LogP6.81
Rot. Bonds4

About (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane

(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane (PubChem CID 144946763) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane.

Molecular Properties

Compound Name(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
PubChem CID144946763
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
SMILESC=C/C=C\C(C=CC#CC(/C=C\C)=C/C)=C/C.CC.CC
InChIInChI=1S/C17H20.2C2H6/c1-5-9-13-17(8-4)15-11-10-14-16(7-3)12-6-2;2*1-2/h5-9,11-13,15H,1H2,2-4H3;2*1-2H3/b12-6-,13-9-,15-11?,16-7+,17-8+;;
InChIKeyDGWIHZSCRMGGCU-KZNUPIBVSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane with MolForge

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Related Compounds

(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
CID 143837264
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
CID 145486678
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599
(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
CID 166663720
ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
CID 143996029
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane?
The IUPAC name of (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane (CID 144946763) is (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane.
What is the SMILES notation for (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane?
The canonical SMILES for (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane is C=C/C=C\C(C=CC#CC(/C=C\C)=C/C)=C/C.CC.CC.
What is the InChIKey of (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane?
The InChIKey is DGWIHZSCRMGGCU-KZNUPIBVSA-N. The full InChI is InChI=1S/C17H20.2C2H6/c1-5-9-13-17(8-4)15-11-10-14-16(7-3)12-6-2;2*1-2/h5-9,11-13,15H,1H2,2-4H3;2*1-2H3/b12-6-,13-9-,15-11?,16-7+,17-8+;;.
What are the key properties of (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane?
(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane has a molecular weight of 284.49 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane is sourced from PubChem (CID 144946763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).