methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane

C15H19P — CID 143802887

IUPACmethyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
SMILESC/C=C\C(=C/C=C/C)P(C)c1ccccc1
InChIInChI=1S/C15H19P/c1-4-6-11-14(10-5-2)16(3)15-12-8-7-9-13-15/h4-13H,1-3H3/b6-4+,10-5-,14-11+
InChIKeyFTPQUCQCTRVDSQ-HOAFCLOLSA-N
MW230.29 g/mol
LogP4.46
Rot. Bonds4

About methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane

methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane (PubChem CID 143802887) has the molecular formula C15H19P and a molecular weight of 230.29 g/mol. Its IUPAC name is methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane.

Molecular Properties

Compound Namemethyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
PubChem CID143802887
Molecular FormulaC15H19P
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Namemethyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
SMILESC/C=C\C(=C/C=C/C)P(C)c1ccccc1
InChIInChI=1S/C15H19P/c1-4-6-11-14(10-5-2)16(3)15-12-8-7-9-13-15/h4-13H,1-3H3/b6-4+,10-5-,14-11+
InChIKeyFTPQUCQCTRVDSQ-HOAFCLOLSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
CID 142398112
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
CID 156713969
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane;iodomethane
CID 142091392
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
ethane;(1E,3Z,5E)-1-phenylhepta-1,3,5-triene-3-thiol
CID 142853593
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
CID 154692141
[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
CID 130280362
[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
CID 130280885
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
CID 138738643
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246

Frequently Asked Questions

What is the IUPAC name of methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane?
The IUPAC name of methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane (CID 143802887) is methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane.
What is the SMILES notation for methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane?
The canonical SMILES for methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane is C/C=C\C(=C/C=C/C)P(C)c1ccccc1.
What is the InChIKey of methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane?
The InChIKey is FTPQUCQCTRVDSQ-HOAFCLOLSA-N. The full InChI is InChI=1S/C15H19P/c1-4-6-11-14(10-5-2)16(3)15-12-8-7-9-13-15/h4-13H,1-3H3/b6-4+,10-5-,14-11+.
What are the key properties of methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane?
methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane has a molecular weight of 230.29 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane is sourced from PubChem (CID 143802887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).