(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene

C14H18O — CID 143508019

IUPAC(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(/C=C\C)=C/C=C
InChIInChI=1S/C14H18O/c1-5-9-12-13(8-4)15-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyOQSISRSOUGHPDT-DILUHCKKSA-N
MW202.30 g/mol
LogP4.30
Rot. Bonds6

About (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene

(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene (PubChem CID 143508019) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
PubChem CID143508019
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)OC(/C=C\C)=C/C=C
InChIInChI=1S/C14H18O/c1-5-9-12-13(8-4)15-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyOQSISRSOUGHPDT-DILUHCKKSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(2E,4Z)-hepta-2,4,6-trien-3-yl] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
CID 146390791
[(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,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
CID 143334709
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
[(3E,5Z)-hepta-1,3,5-trien-4-yl] [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl] phenyl phosphate
CID 130346897
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)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
ethane;[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-methylborane
CID 142048530
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-3-[(3E)-hexa-1,3,5-trien-3-yl]oxybenzene
CID 142063297
[(3E)-hepta-1,3,5-trien-4-yl]oxybenzene
CID 142809122

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene (CID 143508019) is (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene is C=C/C=C\C(=C/C)OC(/C=C\C)=C/C=C.
What is the InChIKey of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene?
The InChIKey is OQSISRSOUGHPDT-DILUHCKKSA-N. The full InChI is InChI=1S/C14H18O/c1-5-9-12-13(8-4)15-14(10-6-2)11-7-3/h5-12H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+.
What are the key properties of (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene?
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene has a molecular weight of 202.30 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene is sourced from PubChem (CID 143508019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).