henicosan-2-yl(iodo)phosphane

C21H44IP — CID 19885667

IUPAChenicosan-2-yl(iodo)phosphane
SMILESCCCCCCCCCCCCCCCCCCCC(C)PI
InChIInChI=1S/C21H44IP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)23-22/h21,23H,3-20H2,1-2H3
InChIKeyFAOCYXFLNNBMPA-UHFFFAOYSA-N
MW454.46 g/mol
LogP9.45
Rot. Bonds19

About henicosan-2-yl(iodo)phosphane

henicosan-2-yl(iodo)phosphane (PubChem CID 19885667) has the molecular formula C21H44IP and a molecular weight of 454.46 g/mol. Its IUPAC name is henicosan-2-yl(iodo)phosphane.

Molecular Properties

Compound Namehenicosan-2-yl(iodo)phosphane
PubChem CID19885667
Molecular FormulaC21H44IP
Molecular Weight454.46 g/mol
Exact Mass454.22
IUPAC Namehenicosan-2-yl(iodo)phosphane
SMILESCCCCCCCCCCCCCCCCCCCC(C)PI
InChIInChI=1S/C21H44IP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)23-22/h21,23H,3-20H2,1-2H3
InChIKeyFAOCYXFLNNBMPA-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

di(tricosan-2-yl)phosphane;hydroiodide
CID 129071952
2-iodooctadecane
CID 138596673
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619

Frequently Asked Questions

What is the IUPAC name of henicosan-2-yl(iodo)phosphane?
The IUPAC name of henicosan-2-yl(iodo)phosphane (CID 19885667) is henicosan-2-yl(iodo)phosphane.
What is the SMILES notation for henicosan-2-yl(iodo)phosphane?
The canonical SMILES for henicosan-2-yl(iodo)phosphane is CCCCCCCCCCCCCCCCCCCC(C)PI.
What is the InChIKey of henicosan-2-yl(iodo)phosphane?
The InChIKey is FAOCYXFLNNBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44IP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)23-22/h21,23H,3-20H2,1-2H3.
What are the key properties of henicosan-2-yl(iodo)phosphane?
henicosan-2-yl(iodo)phosphane has a molecular weight of 454.46 g/mol, XLogP of 9.45, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosan-2-yl(iodo)phosphane is sourced from PubChem (CID 19885667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).