icos-1-ynylphosphane

C20H39P — CID 21095447

IUPACicos-1-ynylphosphane
SMILESCCCCCCCCCCCCCCCCCCC#CP
InChIInChI=1S/C20H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-18,21H2,1H3
InChIKeyMDAPGIPPYOHERO-UHFFFAOYSA-N
MW310.51 g/mol
LogP7.47
Rot. Bonds16

About icos-1-ynylphosphane

icos-1-ynylphosphane (PubChem CID 21095447) has the molecular formula C20H39P and a molecular weight of 310.51 g/mol. Its IUPAC name is icos-1-ynylphosphane.

Molecular Properties

Compound Nameicos-1-ynylphosphane
PubChem CID21095447
Molecular FormulaC20H39P
Molecular Weight310.51 g/mol
Exact Mass310.28
IUPAC Nameicos-1-ynylphosphane
SMILESCCCCCCCCCCCCCCCCCCC#CP
InChIInChI=1S/C20H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-18,21H2,1H3
InChIKeyMDAPGIPPYOHERO-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 57.47
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

oct-1-ynylphosphane
CID 21095686
hept-1-ynylphosphane
CID 21095524
henicos-8-yne
CID 22224321
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
icosa-5,8,11-triyne
CID 139696043
dodec-1-yne-1-thiol
CID 21451189

Frequently Asked Questions

What is the IUPAC name of icos-1-ynylphosphane?
The IUPAC name of icos-1-ynylphosphane (CID 21095447) is icos-1-ynylphosphane.
What is the SMILES notation for icos-1-ynylphosphane?
The canonical SMILES for icos-1-ynylphosphane is CCCCCCCCCCCCCCCCCCC#CP.
What is the InChIKey of icos-1-ynylphosphane?
The InChIKey is MDAPGIPPYOHERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-18,21H2,1H3.
What are the key properties of icos-1-ynylphosphane?
icos-1-ynylphosphane has a molecular weight of 310.51 g/mol, XLogP of 7.47, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icos-1-ynylphosphane is sourced from PubChem (CID 21095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).