cyclopentyl-octyl-propan-2-ylphosphane

C16H33P — CID 57115413

IUPACcyclopentyl-octyl-propan-2-ylphosphane
SMILESCCCCCCCCP(C(C)C)C1CCCC1
InChIInChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17(15(2)3)16-12-9-10-13-16/h15-16H,4-14H2,1-3H3
InChIKeyJJTDQQFNYCHDCO-UHFFFAOYSA-N
MW256.41 g/mol
LogP6.18
Rot. Bonds9

About cyclopentyl-octyl-propan-2-ylphosphane

cyclopentyl-octyl-propan-2-ylphosphane (PubChem CID 57115413) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is cyclopentyl-octyl-propan-2-ylphosphane.

Molecular Properties

Compound Namecyclopentyl-octyl-propan-2-ylphosphane
PubChem CID57115413
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Namecyclopentyl-octyl-propan-2-ylphosphane
SMILESCCCCCCCCP(C(C)C)C1CCCC1
InChIInChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17(15(2)3)16-12-9-10-13-16/h15-16H,4-14H2,1-3H3
InChIKeyJJTDQQFNYCHDCO-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
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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Related Compounds

cyclohexyl(diheptyl)phosphane
CID 118892787
di(cyclobutyl)-octylphosphane
CID 151646814
cyclohexyl-ethyl-octylphosphane
CID 90109221
cyclopentyl-[[cyclopentyl(propan-2-yl)phosphanyl]methyl]-propan-2-ylphosphane;dihydrobromide
CID 173222146
diheptyl(propan-2-yl)phosphane
CID 22497662
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
butyl-cyclopentyl-methylphosphane
CID 155308845
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958
butan-2-ylcyclohexane;heptane
CID 143477095
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473
cyclopentyl(dipropyl)phosphane
CID 14322919

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-octyl-propan-2-ylphosphane?
The IUPAC name of cyclopentyl-octyl-propan-2-ylphosphane (CID 57115413) is cyclopentyl-octyl-propan-2-ylphosphane.
What is the SMILES notation for cyclopentyl-octyl-propan-2-ylphosphane?
The canonical SMILES for cyclopentyl-octyl-propan-2-ylphosphane is CCCCCCCCP(C(C)C)C1CCCC1.
What is the InChIKey of cyclopentyl-octyl-propan-2-ylphosphane?
The InChIKey is JJTDQQFNYCHDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-4-5-6-7-8-11-14-17(15(2)3)16-12-9-10-13-16/h15-16H,4-14H2,1-3H3.
What are the key properties of cyclopentyl-octyl-propan-2-ylphosphane?
cyclopentyl-octyl-propan-2-ylphosphane has a molecular weight of 256.41 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-octyl-propan-2-ylphosphane is sourced from PubChem (CID 57115413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).