[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate

C16H20O3 — CID 146390791

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
SMILESC=C/C=C\C(=C/C)OC(=O)OC(/C=C\C)=C/C=C\C
InChIInChI=1S/C16H20O3/c1-5-9-12-14(8-4)18-16(17)19-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6-,11-7-,12-9-,14-8+,15-13+
InChIKeyXHLSUIVJBABOQA-DDKJSDOWSA-N
MW260.33 g/mol
LogP4.82
Rot. Bonds6

About [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate

[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate (PubChem CID 146390791) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
PubChem CID146390791
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
SMILESC=C/C=C\C(=C/C)OC(=O)OC(/C=C\C)=C/C=C\C
InChIInChI=1S/C16H20O3/c1-5-9-12-14(8-4)18-16(17)19-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6-,11-7-,12-9-,14-8+,15-13+
InChIKeyXHLSUIVJBABOQA-DDKJSDOWSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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
[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
CID 134424390
[(3E,5Z)-hepta-1,3,5-trien-4-yl] prop-2-enoate
CID 118422055
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
CID 143334709
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;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
ethane;[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-methylborane
CID 142048530
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate (CID 146390791) is [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate is C=C/C=C\C(=C/C)OC(=O)OC(/C=C\C)=C/C=C\C.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate?
The InChIKey is XHLSUIVJBABOQA-DDKJSDOWSA-N. The full InChI is InChI=1S/C16H20O3/c1-5-9-12-14(8-4)18-16(17)19-15(11-7-3)13-10-6-2/h5-13H,1H2,2-4H3/b10-6-,11-7-,12-9-,14-8+,15-13+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate?
[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate has a molecular weight of 260.33 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate is sourced from PubChem (CID 146390791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).