hexa-3,5-dien-3-yl(diphenyl)phosphane

C18H19P — CID 123633252

IUPAChexa-3,5-dien-3-yl(diphenyl)phosphane
SMILESC=CC=C(CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19P/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3,5-15H,1,4H2,2H3
InChIKeySWRBVCBBLLTNPL-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.60
Rot. Bonds5

About hexa-3,5-dien-3-yl(diphenyl)phosphane

hexa-3,5-dien-3-yl(diphenyl)phosphane (PubChem CID 123633252) has the molecular formula C18H19P and a molecular weight of 266.32 g/mol. Its IUPAC name is hexa-3,5-dien-3-yl(diphenyl)phosphane.

Molecular Properties

Compound Namehexa-3,5-dien-3-yl(diphenyl)phosphane
PubChem CID123633252
Molecular FormulaC18H19P
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Namehexa-3,5-dien-3-yl(diphenyl)phosphane
SMILESC=CC=C(CC)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19P/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3,5-15H,1,4H2,2H3
InChIKeySWRBVCBBLLTNPL-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.60
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

1-diphenylphosphanylbut-1-enyl(diphenyl)phosphane
CID 87086288
(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
CID 90252727
1-diphenylphosphanylethenyl(diphenyl)phosphane;hexane
CID 131733424
ethenoxyethane;triphenylphosphane
CID 175017576
[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]benzene
CID 142040611
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
CID 142021955
dec-5-en-5-yl(diphenyl)phosphane;titanium(4+);tetrachloride
CID 159184721
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969
2-(1-diphenylphosphanylpropylidene)propanedinitrile
CID 12557470
[(Z)-1-diphenylphosphanylnon-2-en-2-yl]-diphenylphosphane
CID 148661683
[(1E)-1-ethoxybuta-1,3-dienyl]benzene
CID 10487466
(2-ethenylphenyl)-ethyl-phenylphosphane
CID 175287430

Frequently Asked Questions

What is the IUPAC name of hexa-3,5-dien-3-yl(diphenyl)phosphane?
The IUPAC name of hexa-3,5-dien-3-yl(diphenyl)phosphane (CID 123633252) is hexa-3,5-dien-3-yl(diphenyl)phosphane.
What is the SMILES notation for hexa-3,5-dien-3-yl(diphenyl)phosphane?
The canonical SMILES for hexa-3,5-dien-3-yl(diphenyl)phosphane is C=CC=C(CC)P(c1ccccc1)c1ccccc1.
What is the InChIKey of hexa-3,5-dien-3-yl(diphenyl)phosphane?
The InChIKey is SWRBVCBBLLTNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19P/c1-3-11-16(4-2)19(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h3,5-15H,1,4H2,2H3.
What are the key properties of hexa-3,5-dien-3-yl(diphenyl)phosphane?
hexa-3,5-dien-3-yl(diphenyl)phosphane has a molecular weight of 266.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-3,5-dien-3-yl(diphenyl)phosphane is sourced from PubChem (CID 123633252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).