chloro-hexyl-tetradecylphosphane

C20H42ClP — CID 141135276

IUPACchloro-hexyl-tetradecylphosphane
SMILESCCCCCCCCCCCCCCP(Cl)CCCCCC
InChIInChI=1S/C20H42ClP/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22(21)19-17-8-6-4-2/h3-20H2,1-2H3
InChIKeyBANGBLXMSZSRAF-UHFFFAOYSA-N
MW348.98 g/mol
LogP8.90
Rot. Bonds18

About chloro-hexyl-tetradecylphosphane

chloro-hexyl-tetradecylphosphane (PubChem CID 141135276) has the molecular formula C20H42ClP and a molecular weight of 348.98 g/mol. Its IUPAC name is chloro-hexyl-tetradecylphosphane.

Molecular Properties

Compound Namechloro-hexyl-tetradecylphosphane
PubChem CID141135276
Molecular FormulaC20H42ClP
Molecular Weight348.98 g/mol
Exact Mass348.27
IUPAC Namechloro-hexyl-tetradecylphosphane
SMILESCCCCCCCCCCCCCCP(Cl)CCCCCC
InChIInChI=1S/C20H42ClP/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22(21)19-17-8-6-4-2/h3-20H2,1-2H3
InChIKeyBANGBLXMSZSRAF-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.98
LogP ≤ 58.90
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

dichloro(heptyl)phosphane
CID 57297931
chloro-(10,10-dibutyltetradecyl)-hexadecylphosphane
CID 139840774
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
methyl-di(tetradecyl)phosphane
CID 89485367
heptyl(dimethyl)phosphane
CID 18386855
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
tris(trioctylphosphane);tungsten
CID 158972203

Frequently Asked Questions

What is the IUPAC name of chloro-hexyl-tetradecylphosphane?
The IUPAC name of chloro-hexyl-tetradecylphosphane (CID 141135276) is chloro-hexyl-tetradecylphosphane.
What is the SMILES notation for chloro-hexyl-tetradecylphosphane?
The canonical SMILES for chloro-hexyl-tetradecylphosphane is CCCCCCCCCCCCCCP(Cl)CCCCCC.
What is the InChIKey of chloro-hexyl-tetradecylphosphane?
The InChIKey is BANGBLXMSZSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42ClP/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-22(21)19-17-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of chloro-hexyl-tetradecylphosphane?
chloro-hexyl-tetradecylphosphane has a molecular weight of 348.98 g/mol, XLogP of 8.90, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hexyl-tetradecylphosphane is sourced from PubChem (CID 141135276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).