diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene

C27H33P — CID 143675254

IUPACdiphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene
SMILESC=CC.CC/C=C\CCc1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C12H16.C3H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h1-10,13H;3-5,7-8,10-11H,2,6,9H2,1H3;3H,1H2,2H3/b;4-3-;
InChIKeyLUFCGCQUDUJBDE-LWFKIUJUSA-N
MW388.54 g/mol
LogP7.09
Rot. Bonds6

About diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene

diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene (PubChem CID 143675254) has the molecular formula C27H33P and a molecular weight of 388.54 g/mol. Its IUPAC name is diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene.

Molecular Properties

Compound Namediphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene
PubChem CID143675254
Molecular FormulaC27H33P
Molecular Weight388.54 g/mol
Exact Mass388.23
IUPAC Namediphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene
SMILESC=CC.CC/C=C\CCc1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C12H16.C3H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h1-10,13H;3-5,7-8,10-11H,2,6,9H2,1H3;3H,1H2,2H3/b;4-3-;
InChIKeyLUFCGCQUDUJBDE-LWFKIUJUSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pent-3-enylbenzene
CID 519421
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
[(E)-8-[(Z)-hex-3-enoxy]oct-3-enyl]benzene
CID 10968139
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
4-hex-3-enylpyridine
CID 139722961
1-butyl-4-[(E)-hex-3-enyl]benzene
CID 91565101
hepta-3,5-dienylbenzene
CID 54230830
1-chloro-4-[(E)-hex-3-enyl]benzene
CID 57078477
triethyl-[(E)-5-phenylpent-2-enyl]germane
CID 10913752
[(E)-5-chloropent-3-enyl]benzene
CID 101263863
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
but-3-enylbenzene;silver
CID 174999453

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene?
The IUPAC name of diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene (CID 143675254) is diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene.
What is the SMILES notation for diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene?
The canonical SMILES for diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene is C=CC.CC/C=C\CCc1ccccc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene?
The InChIKey is LUFCGCQUDUJBDE-LWFKIUJUSA-N. The full InChI is InChI=1S/C12H11P.C12H16.C3H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-2/h1-10,13H;3-5,7-8,10-11H,2,6,9H2,1H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene?
diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene has a molecular weight of 388.54 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;[(Z)-hex-3-enyl]benzene;prop-1-ene is sourced from PubChem (CID 143675254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).