[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane

C14H19P — CID 142967584

IUPAC[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane
SMILESC/C=C(\C=C/CC)Pc1ccc(C)cc1
InChIInChI=1S/C14H19P/c1-4-6-7-13(5-2)15-14-10-8-12(3)9-11-14/h5-11,15H,4H2,1-3H3/b7-6-,13-5+
InChIKeyHYHOSZMFCQVTPV-ZQNRWWJISA-N
MW218.28 g/mol
LogP4.17
Rot. Bonds4

About [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane

[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane (PubChem CID 142967584) has the molecular formula C14H19P and a molecular weight of 218.28 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane
PubChem CID142967584
Molecular FormulaC14H19P
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane
SMILESC/C=C(\C=C/CC)Pc1ccc(C)cc1
InChIInChI=1S/C14H19P/c1-4-6-7-13(5-2)15-14-10-8-12(3)9-11-14/h5-11,15H,4H2,1-3H3/b7-6-,13-5+
InChIKeyHYHOSZMFCQVTPV-ZQNRWWJISA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 54.17
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-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
CID 142049182
(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749
1-[(E)-but-1-enyl]-4-[(Z)-1,2-difluoro-2-(4-methylphenyl)ethenyl]benzene
CID 139748692
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methylaniline
CID 144619681
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
N-(4-butan-2-ylphenyl)-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-methylaniline
CID 143909827
ethanol;methanol;1,4-xylene
CID 70196397

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane?
The IUPAC name of [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane (CID 142967584) is [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane.
What is the SMILES notation for [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane?
The canonical SMILES for [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane is C/C=C(\C=C/CC)Pc1ccc(C)cc1.
What is the InChIKey of [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane?
The InChIKey is HYHOSZMFCQVTPV-ZQNRWWJISA-N. The full InChI is InChI=1S/C14H19P/c1-4-6-7-13(5-2)15-14-10-8-12(3)9-11-14/h5-11,15H,4H2,1-3H3/b7-6-,13-5+.
What are the key properties of [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane?
[(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane has a molecular weight of 218.28 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4-dien-3-yl]-(4-methylphenyl)phosphane is sourced from PubChem (CID 142967584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).