cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane

C11H19PSe — CID 101110010

IUPACcyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane
SMILESCC(C)P(=[Se])(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyKQSSKLBHSDLVBB-UHFFFAOYSA-N
MW261.21 g/mol
LogP3.75
Rot. Bonds3

About cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane

cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane (PubChem CID 101110010) has the molecular formula C11H19PSe and a molecular weight of 261.21 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane
PubChem CID101110010
Molecular FormulaC11H19PSe
Molecular Weight261.21 g/mol
Exact Mass262.04
IUPAC Namecyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane
SMILESCC(C)P(=[Se])(C1=CC=CC1)C(C)C
InChIInChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3
InChIKeyKQSSKLBHSDLVBB-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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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Related Compounds

CID 134980907
CID 134980907
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
CID 134873444
CID 134873444
CID 134888507
CID 134888507
CID 134888611
CID 134888611
CID 134893222
CID 134893222
CID 134898230
CID 134898230
CID 134898513
CID 134898513
CID 134898603
CID 134898603
CID 134898713
CID 134898713
CID 134979883
CID 134979883

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane (CID 101110010) is cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane is CC(C)P(=[Se])(C1=CC=CC1)C(C)C.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane?
The InChIKey is KQSSKLBHSDLVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19PSe/c1-9(2)12(13,10(3)4)11-7-5-6-8-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane?
cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane has a molecular weight of 261.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-di(propan-2-yl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 101110010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).