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

C11H18P- — CID 11984893

IUPACcyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc[cH-]c1)C(C)C
InChIInChI=1S/C11H18P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-10H,1-4H3/q-1
InChIKeyUFSFUNFSNHHXGF-UHFFFAOYSA-N
MW181.24 g/mol
LogP3.33
Rot. Bonds3

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

cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane (PubChem CID 11984893) has the molecular formula C11H18P- and a molecular weight of 181.24 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane
PubChem CID11984893
Molecular FormulaC11H18P-
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Namecyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc[cH-]c1)C(C)C
InChIInChI=1S/C11H18P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-10H,1-4H3/q-1
InChIKeyUFSFUNFSNHHXGF-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane?
The IUPAC name of cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane (CID 11984893) is cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane is CC(C)P(c1cc[cH-]c1)C(C)C.
What is the InChIKey of cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane?
The InChIKey is UFSFUNFSNHHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18P/c1-9(2)12(10(3)4)11-7-5-6-8-11/h5-10H,1-4H3/q-1.
What are the key properties of cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane?
cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane has a molecular weight of 181.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-di(propan-2-yl)phosphane is sourced from PubChem (CID 11984893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).