[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane

C16H21P — CID 142870317

IUPAC[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane
SMILESC=C/C(C)=C(\C)PC(C=C)c1ccccc1C
InChIInChI=1S/C16H21P/c1-6-12(3)14(5)17-16(7-2)15-11-9-8-10-13(15)4/h6-11,16-17H,1-2H2,3-5H3/b14-12+
InChIKeyPOEVTJDTKDDAMC-WYMLVPIESA-N
MW244.32 g/mol
LogP5.38
Rot. Bonds5

About [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane

[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane (PubChem CID 142870317) has the molecular formula C16H21P and a molecular weight of 244.32 g/mol. Its IUPAC name is [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane.

Molecular Properties

Compound Name[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane
PubChem CID142870317
Molecular FormulaC16H21P
Molecular Weight244.32 g/mol
Exact Mass244.14
IUPAC Name[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane
SMILESC=C/C(C)=C(\C)PC(C=C)c1ccccc1C
InChIInChI=1S/C16H21P/c1-6-12(3)14(5)17-16(7-2)15-11-9-8-10-13(15)4/h6-11,16-17H,1-2H2,3-5H3/b14-12+
InChIKeyPOEVTJDTKDDAMC-WYMLVPIESA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.32
LogP ≤ 55.38
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methylphenyl)prop-2-en-1-ol
CID 102103795
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
1-methyl-2-[(3E)-3-methylhepta-1,3,6-trien-4-yl]benzene
CID 145272429
1-methoxy-4-[1-(2-methylphenyl)prop-2-enoxymethyl]benzene
CID 19986996
2-methyl-1-(2-methylphenyl)prop-2-en-1-amine
CID 79190609
(2R)-2-(2-methylphenyl)pent-4-enamide
CID 101197364
dimethyl-[1-(2-methylphenyl)prop-2-enyl]-phenylsilane
CID 78155432
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
acetic acid;(2-methylphenyl)methanediol
CID 71361235
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628

Frequently Asked Questions

What is the IUPAC name of [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane?
The IUPAC name of [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane (CID 142870317) is [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane.
What is the SMILES notation for [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane?
The canonical SMILES for [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane is C=C/C(C)=C(\C)PC(C=C)c1ccccc1C.
What is the InChIKey of [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane?
The InChIKey is POEVTJDTKDDAMC-WYMLVPIESA-N. The full InChI is InChI=1S/C16H21P/c1-6-12(3)14(5)17-16(7-2)15-11-9-8-10-13(15)4/h6-11,16-17H,1-2H2,3-5H3/b14-12+.
What are the key properties of [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane?
[(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane has a molecular weight of 244.32 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3-methylpenta-2,4-dien-2-yl]-[1-(2-methylphenyl)prop-2-enyl]phosphane is sourced from PubChem (CID 142870317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).