but-3-ynyl-iodo-triphenyl-λ5-phosphane

C22H20IP — CID 162411782

IUPACbut-3-ynyl-iodo-triphenyl-λ5-phosphane
SMILESC#CCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20IP/c1-2-3-19-24(23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1,4-18H,3,19H2
InChIKeyWBTPCAJINOOZMU-UHFFFAOYSA-N
MW442.28 g/mol
LogP4.89
Rot. Bonds5

About but-3-ynyl-iodo-triphenyl-λ5-phosphane

but-3-ynyl-iodo-triphenyl-λ5-phosphane (PubChem CID 162411782) has the molecular formula C22H20IP and a molecular weight of 442.28 g/mol. Its IUPAC name is but-3-ynyl-iodo-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebut-3-ynyl-iodo-triphenyl-λ5-phosphane
PubChem CID162411782
Molecular FormulaC22H20IP
Molecular Weight442.28 g/mol
Exact Mass442.03
IUPAC Namebut-3-ynyl-iodo-triphenyl-λ5-phosphane
SMILESC#CCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20IP/c1-2-3-19-24(23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1,4-18H,3,19H2
InChIKeyWBTPCAJINOOZMU-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 15266450
iodo-pentadecyl-triphenyl-lambda5-phosphane
CID 15341703
hexa-1,5-diyne;phenol
CID 87989420
pent-4-ynyl(diphenyl)phosphane
CID 15791199
hex-1-en-5-ynylbenzene
CID 54176357
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
1-benzyl-3-but-3-ynylurea
CID 56765727
N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
CID 14323061
but-3-ynoxymethylbenzene
CID 11008213
(1S)-1-phenylpent-4-yn-1-ol
CID 174532036
triphenyl(prop-2-ynyl)phosphanium bromide
CID 2724214
deca-1,9-diynylbenzene
CID 86004260

Frequently Asked Questions

What is the IUPAC name of but-3-ynyl-iodo-triphenyl-λ5-phosphane?
The IUPAC name of but-3-ynyl-iodo-triphenyl-λ5-phosphane (CID 162411782) is but-3-ynyl-iodo-triphenyl-λ5-phosphane.
What is the SMILES notation for but-3-ynyl-iodo-triphenyl-λ5-phosphane?
The canonical SMILES for but-3-ynyl-iodo-triphenyl-λ5-phosphane is C#CCCP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-ynyl-iodo-triphenyl-λ5-phosphane?
The InChIKey is WBTPCAJINOOZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20IP/c1-2-3-19-24(23,20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1,4-18H,3,19H2.
What are the key properties of but-3-ynyl-iodo-triphenyl-λ5-phosphane?
but-3-ynyl-iodo-triphenyl-λ5-phosphane has a molecular weight of 442.28 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynyl-iodo-triphenyl-λ5-phosphane is sourced from PubChem (CID 162411782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).