hexyl-methyl-octylphosphane

C15H33P — CID 22497581

IUPAChexyl-methyl-octylphosphane
SMILESCCCCCCCCP(C)CCCCCC
InChIInChI=1S/C15H33P/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h4-15H2,1-3H3
InChIKeyJAXRBLAJXQMBAK-UHFFFAOYSA-N
MW244.40 g/mol
LogP6.04
Rot. Bonds12

About hexyl-methyl-octylphosphane

hexyl-methyl-octylphosphane (PubChem CID 22497581) has the molecular formula C15H33P and a molecular weight of 244.40 g/mol. Its IUPAC name is hexyl-methyl-octylphosphane.

Molecular Properties

Compound Namehexyl-methyl-octylphosphane
PubChem CID22497581
Molecular FormulaC15H33P
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Namehexyl-methyl-octylphosphane
SMILESCCCCCCCCP(C)CCCCCC
InChIInChI=1S/C15H33P/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h4-15H2,1-3H3
InChIKeyJAXRBLAJXQMBAK-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.40
LogP ≤ 56.04
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

methyl-di(tetradecyl)phosphane
CID 89485367
diheptyl(methyl)phosphane
CID 22497718
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
CID 23501422
heptyl(dimethyl)phosphane
CID 18386855
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dibutyl(decyl)phosphane
CID 171559269
chloro-hexyl-tetradecylphosphane
CID 141135276
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of hexyl-methyl-octylphosphane?
The IUPAC name of hexyl-methyl-octylphosphane (CID 22497581) is hexyl-methyl-octylphosphane.
What is the SMILES notation for hexyl-methyl-octylphosphane?
The canonical SMILES for hexyl-methyl-octylphosphane is CCCCCCCCP(C)CCCCCC.
What is the InChIKey of hexyl-methyl-octylphosphane?
The InChIKey is JAXRBLAJXQMBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33P/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h4-15H2,1-3H3.
What are the key properties of hexyl-methyl-octylphosphane?
hexyl-methyl-octylphosphane has a molecular weight of 244.40 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-methyl-octylphosphane is sourced from PubChem (CID 22497581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).