methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

C9H16P2 — CID 21130759

IUPACmethyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCPC(C)C1=CC=CC1PC
InChIInChI=1S/C9H16P2/c1-7(10-2)8-5-4-6-9(8)11-3/h4-7,9-11H,1-3H3
InChIKeyBPQZFCZJQRYQHX-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.86
Rot. Bonds3

About methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (PubChem CID 21130759) has the molecular formula C9H16P2 and a molecular weight of 186.17 g/mol. Its IUPAC name is methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Namemethyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
PubChem CID21130759
Molecular FormulaC9H16P2
Molecular Weight186.17 g/mol
Exact Mass186.07
IUPAC Namemethyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESCPC(C)C1=CC=CC1PC
InChIInChI=1S/C9H16P2/c1-7(10-2)8-5-4-6-9(8)11-3/h4-7,9-11H,1-3H3
InChIKeyBPQZFCZJQRYQHX-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The IUPAC name of methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (CID 21130759) is methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The canonical SMILES for methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is CPC(C)C1=CC=CC1PC.
What is the InChIKey of methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The InChIKey is BPQZFCZJQRYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16P2/c1-7(10-2)8-5-4-6-9(8)11-3/h4-7,9-11H,1-3H3.
What are the key properties of methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane has a molecular weight of 186.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 21130759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).