hex-1-enyl(phenyl)phosphane;dihydrochloride

C12H19Cl2P — CID 175399420

IUPAChex-1-enyl(phenyl)phosphane;dihydrochloride
SMILESCCCCC=CPc1ccccc1.Cl.Cl
InChIInChI=1S/C12H17P.2ClH/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h5-11,13H,2-4H2,1H3;2*1H
InChIKeyFQZGDIOHKHDJRP-UHFFFAOYSA-N
MW265.16 g/mol
LogP4.54
Rot. Bonds5

About hex-1-enyl(phenyl)phosphane;dihydrochloride

hex-1-enyl(phenyl)phosphane;dihydrochloride (PubChem CID 175399420) has the molecular formula C12H19Cl2P and a molecular weight of 265.16 g/mol. Its IUPAC name is hex-1-enyl(phenyl)phosphane;dihydrochloride.

Molecular Properties

Compound Namehex-1-enyl(phenyl)phosphane;dihydrochloride
PubChem CID175399420
Molecular FormulaC12H19Cl2P
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Namehex-1-enyl(phenyl)phosphane;dihydrochloride
SMILESCCCCC=CPc1ccccc1.Cl.Cl
InChIInChI=1S/C12H17P.2ClH/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h5-11,13H,2-4H2,1H3;2*1H
InChIKeyFQZGDIOHKHDJRP-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphane;octane
CID 19797985
hex-1-enyl(diphenyl)phosphane
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[(3Z)-octa-1,3-dienyl]benzene
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hex-1-enylbenzene;prop-1-ene
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[(Z)-hept-2-enyl]-dimethyl-phenylsilane
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hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
[(Z)-hex-1-enyl]sulfinylbenzene
CID 11275798
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
undec-1-enyl(undec-1-enylphosphanyl)phosphane
CID 90919459
[(E)-oct-2-enyl]benzene
CID 13383320
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-1,1-difluorohept-2-enyl]sulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of hex-1-enyl(phenyl)phosphane;dihydrochloride?
The IUPAC name of hex-1-enyl(phenyl)phosphane;dihydrochloride (CID 175399420) is hex-1-enyl(phenyl)phosphane;dihydrochloride.
What is the SMILES notation for hex-1-enyl(phenyl)phosphane;dihydrochloride?
The canonical SMILES for hex-1-enyl(phenyl)phosphane;dihydrochloride is CCCCC=CPc1ccccc1.Cl.Cl.
What is the InChIKey of hex-1-enyl(phenyl)phosphane;dihydrochloride?
The InChIKey is FQZGDIOHKHDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17P.2ClH/c1-2-3-4-8-11-13-12-9-6-5-7-10-12;;/h5-11,13H,2-4H2,1H3;2*1H.
What are the key properties of hex-1-enyl(phenyl)phosphane;dihydrochloride?
hex-1-enyl(phenyl)phosphane;dihydrochloride has a molecular weight of 265.16 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-enyl(phenyl)phosphane;dihydrochloride is sourced from PubChem (CID 175399420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).