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

C14H19O2P — CID 134424390

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
SMILESC=C/C=C\C(=C/C)OPOC(/C=C\C)=C/C=C
InChIInChI=1S/C14H19O2P/c1-5-9-12-13(8-4)15-17-16-14(10-6-2)11-7-3/h5-12,17H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyKAZPXCQTFSFINX-DILUHCKKSA-N
MW250.28 g/mol
LogP4.82
Rot. Bonds8

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

[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane (PubChem CID 134424390) has the molecular formula C14H19O2P and a molecular weight of 250.28 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
PubChem CID134424390
Molecular FormulaC14H19O2P
Molecular Weight250.28 g/mol
Exact Mass250.11
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane
SMILESC=C/C=C\C(=C/C)OPOC(/C=C\C)=C/C=C
InChIInChI=1S/C14H19O2P/c1-5-9-12-13(8-4)15-17-16-14(10-6-2)11-7-3/h5-12,17H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+
InChIKeyKAZPXCQTFSFINX-DILUHCKKSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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] [(2Z,4E,6Z)-octa-2,4,6-trien-4-yl] carbonate
CID 146390791
(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
[(3E,5Z)-hepta-1,3,5-trien-4-yl] prop-2-enoate
CID 118422055
(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
ethane;(3Z,5E)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]oxynona-1,3,5,8-tetraene;(Z)-pent-2-ene
CID 143334709
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane (CID 134424390) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane is C=C/C=C\C(=C/C)OPOC(/C=C\C)=C/C=C.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane?
The InChIKey is KAZPXCQTFSFINX-DILUHCKKSA-N. The full InChI is InChI=1S/C14H19O2P/c1-5-9-12-13(8-4)15-17-16-14(10-6-2)11-7-3/h5-12,17H,1-2H2,3-4H3/b11-7-,12-9-,13-8+,14-10+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane has a molecular weight of 250.28 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphosphane is sourced from PubChem (CID 134424390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).