3,4,5-tripropylcyclopenta[c]phosphole

C16H23P — CID 21095883

IUPAC3,4,5-tripropylcyclopenta[c]phosphole
SMILESCCCC1=C(CCC)C2=C(CCC)P=CC2=C1
InChIInChI=1S/C16H23P/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyHFVWIUHWBDSHNO-UHFFFAOYSA-N
MW246.33 g/mol
LogP5.64
Rot. Bonds6

About 3,4,5-tripropylcyclopenta[c]phosphole

3,4,5-tripropylcyclopenta[c]phosphole (PubChem CID 21095883) has the molecular formula C16H23P and a molecular weight of 246.33 g/mol. Its IUPAC name is 3,4,5-tripropylcyclopenta[c]phosphole.

Molecular Properties

Compound Name3,4,5-tripropylcyclopenta[c]phosphole
PubChem CID21095883
Molecular FormulaC16H23P
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3,4,5-tripropylcyclopenta[c]phosphole
SMILESCCCC1=C(CCC)C2=C(CCC)P=CC2=C1
InChIInChI=1S/C16H23P/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyHFVWIUHWBDSHNO-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.33
LogP ≤ 55.64
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 3,4,5-tripropylcyclopenta[c]phosphole?
The IUPAC name of 3,4,5-tripropylcyclopenta[c]phosphole (CID 21095883) is 3,4,5-tripropylcyclopenta[c]phosphole.
What is the SMILES notation for 3,4,5-tripropylcyclopenta[c]phosphole?
The canonical SMILES for 3,4,5-tripropylcyclopenta[c]phosphole is CCCC1=C(CCC)C2=C(CCC)P=CC2=C1.
What is the InChIKey of 3,4,5-tripropylcyclopenta[c]phosphole?
The InChIKey is HFVWIUHWBDSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23P/c1-4-7-12-10-13-11-17-15(9-6-3)16(13)14(12)8-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 3,4,5-tripropylcyclopenta[c]phosphole?
3,4,5-tripropylcyclopenta[c]phosphole has a molecular weight of 246.33 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tripropylcyclopenta[c]phosphole is sourced from PubChem (CID 21095883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).