octyl-(1-propan-2-ylcyclopentyl)phosphane

C16H33P — CID 23317619

IUPACoctyl-(1-propan-2-ylcyclopentyl)phosphane
SMILESCCCCCCCCPC1(C(C)C)CCCC1
InChIInChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17-16(15(2)3)12-9-10-13-16/h15,17H,4-14H2,1-3H3
InChIKeyQWJLFDNKNHKPRB-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.99
Rot. Bonds9

About octyl-(1-propan-2-ylcyclopentyl)phosphane

octyl-(1-propan-2-ylcyclopentyl)phosphane (PubChem CID 23317619) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is octyl-(1-propan-2-ylcyclopentyl)phosphane.

Molecular Properties

Compound Nameoctyl-(1-propan-2-ylcyclopentyl)phosphane
PubChem CID23317619
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Nameoctyl-(1-propan-2-ylcyclopentyl)phosphane
SMILESCCCCCCCCPC1(C(C)C)CCCC1
InChIInChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17-16(15(2)3)12-9-10-13-16/h15,17H,4-14H2,1-3H3
InChIKeyQWJLFDNKNHKPRB-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.99
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 octyl-(1-propan-2-ylcyclopentyl)phosphane?
The IUPAC name of octyl-(1-propan-2-ylcyclopentyl)phosphane (CID 23317619) is octyl-(1-propan-2-ylcyclopentyl)phosphane.
What is the SMILES notation for octyl-(1-propan-2-ylcyclopentyl)phosphane?
The canonical SMILES for octyl-(1-propan-2-ylcyclopentyl)phosphane is CCCCCCCCPC1(C(C)C)CCCC1.
What is the InChIKey of octyl-(1-propan-2-ylcyclopentyl)phosphane?
The InChIKey is QWJLFDNKNHKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17-16(15(2)3)12-9-10-13-16/h15,17H,4-14H2,1-3H3.
What are the key properties of octyl-(1-propan-2-ylcyclopentyl)phosphane?
octyl-(1-propan-2-ylcyclopentyl)phosphane has a molecular weight of 256.41 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octyl-(1-propan-2-ylcyclopentyl)phosphane is sourced from PubChem (CID 23317619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).