cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane

C11H19PSe — CID 15905429

IUPACcyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane
SMILESCC(C)P(=[Se])(C(C)C)C1C=CC=C1
InChIInChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-11H,1-4H3
InChIKeyJVIIAWRBUDBQCS-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.40
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane

cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane (PubChem CID 15905429) has the molecular formula C11H19PSe and a molecular weight of 261.21 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane
PubChem CID15905429
Molecular FormulaC11H19PSe
Molecular Weight261.21 g/mol
Exact Mass262.04
IUPAC Namecyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane
SMILESCC(C)P(=[Se])(C(C)C)C1C=CC=C1
InChIInChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-11H,1-4H3
InChIKeyJVIIAWRBUDBQCS-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane (CID 15905429) is cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane is CC(C)P(=[Se])(C(C)C)C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane?
The InChIKey is JVIIAWRBUDBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-11H,1-4H3.
What are the key properties of cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane?
cyclopenta-2,4-dien-1-yl-di(propan-2-yl)-selanylidene-lambda5-phosphane has a molecular weight of 261.21 g/mol, XLogP of 3.40, 3 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-di(propan-2-yl)-selanylidene-lambda5-phosphane is sourced from PubChem (CID 15905429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).