cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium

C14H26P+ — CID 86249829

IUPACcyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium
SMILESCC(C)[P+](C(C)C)(C(C)C)C1C=CC=C1
InChIInChI=1S/C14H26P/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-14H,1-6H3/q+1
InChIKeyIOWRDNNSXVAPMJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.72
Rot. Bonds4

About cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium

cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium (PubChem CID 86249829) has the molecular formula C14H26P+ and a molecular weight of 225.34 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium
PubChem CID86249829
Molecular FormulaC14H26P+
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Namecyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium
SMILESCC(C)[P+](C(C)C)(C(C)C)C1C=CC=C1
InChIInChI=1S/C14H26P/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-14H,1-6H3/q+1
InChIKeyIOWRDNNSXVAPMJ-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1\'-Bis(diisopropylphosphino)ferrocene
CID 16217330
CID 134888563
CID 134888563
CID 134980907
CID 134980907
Dicyclopentadienylphosphine
CID 15504820
Cyclopenta-1,3-diene;ethene;prop-1-ene
CID 162057660
Ditert-butyl(cyclopenta-1,3-dien-1-yl)phosphane
CID 12024215
9-Tert-butyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene
CID 12844076
1,2-Dimethyl-2,5-dihydrophosphole
CID 13214995
1-Propan-2-yl-2,3,6,7-tetrahydrophosphepine
CID 101846594
CID 134873444
CID 134873444
CID 134888507
CID 134888507
CID 134888591
CID 134888591

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium (CID 86249829) is cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium is CC(C)[P+](C(C)C)(C(C)C)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium?
The InChIKey is IOWRDNNSXVAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26P/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-14H,1-6H3/q+1.
What are the key properties of cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium?
cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium has a molecular weight of 225.34 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-tri(propan-2-yl)phosphanium is sourced from PubChem (CID 86249829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).