3-pentylcyclopenta[c]phosphole

C12H15P — CID 21095266

IUPAC3-pentylcyclopenta[c]phosphole
SMILESCCCCCC1=C2C=CC=C2C=P1
InChIInChI=1S/C12H15P/c1-2-3-4-8-12-11-7-5-6-10(11)9-13-12/h5-7,9H,2-4,8H2,1H3
InChIKeyYVKHMNFJJJMSCD-UHFFFAOYSA-N
MW190.23 g/mol
LogP4.08
Rot. Bonds4

About 3-pentylcyclopenta[c]phosphole

3-pentylcyclopenta[c]phosphole (PubChem CID 21095266) has the molecular formula C12H15P and a molecular weight of 190.23 g/mol. Its IUPAC name is 3-pentylcyclopenta[c]phosphole.

Molecular Properties

Compound Name3-pentylcyclopenta[c]phosphole
PubChem CID21095266
Molecular FormulaC12H15P
Molecular Weight190.23 g/mol
Exact Mass190.09
IUPAC Name3-pentylcyclopenta[c]phosphole
SMILESCCCCCC1=C2C=CC=C2C=P1
InChIInChI=1S/C12H15P/c1-2-3-4-8-12-11-7-5-6-10(11)9-13-12/h5-7,9H,2-4,8H2,1H3
InChIKeyYVKHMNFJJJMSCD-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentylcyclopenta[c]phosphole?
The IUPAC name of 3-pentylcyclopenta[c]phosphole (CID 21095266) is 3-pentylcyclopenta[c]phosphole.
What is the SMILES notation for 3-pentylcyclopenta[c]phosphole?
The canonical SMILES for 3-pentylcyclopenta[c]phosphole is CCCCCC1=C2C=CC=C2C=P1.
What is the InChIKey of 3-pentylcyclopenta[c]phosphole?
The InChIKey is YVKHMNFJJJMSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15P/c1-2-3-4-8-12-11-7-5-6-10(11)9-13-12/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 3-pentylcyclopenta[c]phosphole?
3-pentylcyclopenta[c]phosphole has a molecular weight of 190.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylcyclopenta[c]phosphole is sourced from PubChem (CID 21095266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).