ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene

C24H42O — CID 143334709

IUPACethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/C=C\C(=C/CC=C)OC(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C15H20O.C5H10.2C2H6/c1-5-9-12-15(13-10-6-2)16-14(8-4)11-7-3;1-3-5-4-2;2*1-2/h5-9,11-13H,1-2,10H2,3-4H3;3,5H,4H2,1-2H3;2*1-2H3/b11-7-,12-9-,14-8+,15-13+;5-3-;;
InChIKeyUDOHLJAOLCNINE-FCPQKSEVSA-N
MW346.60 g/mol
LogP8.71
Rot. Bonds8

About ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene

ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene (PubChem CID 143334709) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
PubChem CID143334709
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Nameethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=C/C=C\C(=C/CC=C)OC(/C=C\C)=C/C.CC.CC
InChIInChI=1S/C15H20O.C5H10.2C2H6/c1-5-9-12-15(13-10-6-2)16-14(8-4)11-7-3;1-3-5-4-2;2*1-2/h5-9,11-13H,1-2,10H2,3-4H3;3,5H,4H2,1-2H3;2*1-2H3/b11-7-,12-9-,14-8+,15-13+;5-3-;;
InChIKeyUDOHLJAOLCNINE-FCPQKSEVSA-N
XLogP8.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
methane;penta-1,3-diene;pent-2-ene
CID 158883793
[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
CID 146390791
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxymethylbenzene;propanal
CID 142817556
but-1-ene;(Z)-pent-2-ene
CID 156866422
hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
CID 142609850
ethane;ethene;(E)-pent-2-ene
CID 154666573
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
CID 134424390
chloro-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3Z,5E)-nona-1,3,5,8-tetraen-5-yl]phosphane
CID 155373823

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene?
The IUPAC name of ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene (CID 143334709) is ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene.
What is the SMILES notation for ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene?
The canonical SMILES for ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene is C/C=C\CC.C=C/C=C\C(=C/CC=C)OC(/C=C\C)=C/C.CC.CC.
What is the InChIKey of ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene?
The InChIKey is UDOHLJAOLCNINE-FCPQKSEVSA-N. The full InChI is InChI=1S/C15H20O.C5H10.2C2H6/c1-5-9-12-15(13-10-6-2)16-14(8-4)11-7-3;1-3-5-4-2;2*1-2/h5-9,11-13H,1-2,10H2,3-4H3;3,5H,4H2,1-2H3;2*1-2H3/b11-7-,12-9-,14-8+,15-13+;5-3-;;.
What are the key properties of ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene?
ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene has a molecular weight of 346.60 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene is sourced from PubChem (CID 143334709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).