bis(oct-1-ynyl)phosphane

C16H27P — CID 21096752

IUPACbis(oct-1-ynyl)phosphane
SMILESCCCCCCC#CPC#CCCCCCC
InChIInChI=1S/C16H27P/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-12H2,1-2H3
InChIKeyLAIHTOQOFHVOPE-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.53
Rot. Bonds8

About bis(oct-1-ynyl)phosphane

bis(oct-1-ynyl)phosphane (PubChem CID 21096752) has the molecular formula C16H27P and a molecular weight of 250.37 g/mol. Its IUPAC name is bis(oct-1-ynyl)phosphane.

Molecular Properties

Compound Namebis(oct-1-ynyl)phosphane
PubChem CID21096752
Molecular FormulaC16H27P
Molecular Weight250.37 g/mol
Exact Mass250.19
IUPAC Namebis(oct-1-ynyl)phosphane
SMILESCCCCCCC#CPC#CCCCCCC
InChIInChI=1S/C16H27P/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-12H2,1-2H3
InChIKeyLAIHTOQOFHVOPE-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

henicos-8-yne
CID 22224321
bis(pent-1-ynyl)phosphane
CID 21096758
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
dec-1-ynylstibane
CID 173085058
1-iodoundec-1-yne
CID 22678053
dec-1-ynylarsane
CID 173084883
dodec-1-yne-1-thiol
CID 21451189
1-(76Br)bromooct-1-yne
CID 11665518

Frequently Asked Questions

What is the IUPAC name of bis(oct-1-ynyl)phosphane?
The IUPAC name of bis(oct-1-ynyl)phosphane (CID 21096752) is bis(oct-1-ynyl)phosphane.
What is the SMILES notation for bis(oct-1-ynyl)phosphane?
The canonical SMILES for bis(oct-1-ynyl)phosphane is CCCCCCC#CPC#CCCCCCC.
What is the InChIKey of bis(oct-1-ynyl)phosphane?
The InChIKey is LAIHTOQOFHVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27P/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-12H2,1-2H3.
What are the key properties of bis(oct-1-ynyl)phosphane?
bis(oct-1-ynyl)phosphane has a molecular weight of 250.37 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oct-1-ynyl)phosphane is sourced from PubChem (CID 21096752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).