5-ethylheptylphosphane

C9H21P — CID 90926602

IUPAC5-ethylheptylphosphane
SMILESCCC(CC)CCCCP
InChIInChI=1S/C9H21P/c1-3-9(4-2)7-5-6-8-10/h9H,3-8,10H2,1-2H3
InChIKeyUOKAJCOJEPGLPB-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.47
Rot. Bonds6

About 5-ethylheptylphosphane

5-ethylheptylphosphane (PubChem CID 90926602) has the molecular formula C9H21P and a molecular weight of 160.24 g/mol. Its IUPAC name is 5-ethylheptylphosphane.

Molecular Properties

Compound Name5-ethylheptylphosphane
PubChem CID90926602
Molecular FormulaC9H21P
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name5-ethylheptylphosphane
SMILESCCC(CC)CCCCP
InChIInChI=1S/C9H21P/c1-3-9(4-2)7-5-6-8-10/h9H,3-8,10H2,1-2H3
InChIKeyUOKAJCOJEPGLPB-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.47
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

dodecylphosphane;2-ethyldodecylphosphane
CID 122690433
3,7-diethylnonane
CID 22089120
3-ethylpentacosane
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3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
5-ethylheptane-1-thiol
CID 141457634
ethane;3-ethylundecane
CID 144815521
3-ethyl-8-methyldecane
CID 57490930
3,6-diethylundecane
CID 22051817
3,6-diethyloctane
CID 526424
3-ethyl-10-methyldodecane
CID 54169175
12-ethyltetradecan-1-amine
CID 87456130

Frequently Asked Questions

What is the IUPAC name of 5-ethylheptylphosphane?
The IUPAC name of 5-ethylheptylphosphane (CID 90926602) is 5-ethylheptylphosphane.
What is the SMILES notation for 5-ethylheptylphosphane?
The canonical SMILES for 5-ethylheptylphosphane is CCC(CC)CCCCP.
What is the InChIKey of 5-ethylheptylphosphane?
The InChIKey is UOKAJCOJEPGLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P/c1-3-9(4-2)7-5-6-8-10/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-ethylheptylphosphane?
5-ethylheptylphosphane has a molecular weight of 160.24 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylheptylphosphane is sourced from PubChem (CID 90926602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).