di(cyclobutyl)-octylphosphane

C16H31P — CID 151646814

IUPACdi(cyclobutyl)-octylphosphane
SMILESCCCCCCCCP(C1CCC1)C1CCC1
InChIInChI=1S/C16H31P/c1-2-3-4-5-6-7-14-17(15-10-8-11-15)16-12-9-13-16/h15-16H,2-14H2,1H3
InChIKeyQTRMHMYIOOLBGK-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.93
Rot. Bonds9

About di(cyclobutyl)-octylphosphane

di(cyclobutyl)-octylphosphane (PubChem CID 151646814) has the molecular formula C16H31P and a molecular weight of 254.40 g/mol. Its IUPAC name is di(cyclobutyl)-octylphosphane.

Molecular Properties

Compound Namedi(cyclobutyl)-octylphosphane
PubChem CID151646814
Molecular FormulaC16H31P
Molecular Weight254.40 g/mol
Exact Mass254.22
IUPAC Namedi(cyclobutyl)-octylphosphane
SMILESCCCCCCCCP(C1CCC1)C1CCC1
InChIInChI=1S/C16H31P/c1-2-3-4-5-6-7-14-17(15-10-8-11-15)16-12-9-13-16/h15-16H,2-14H2,1H3
InChIKeyQTRMHMYIOOLBGK-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.93
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'}

Analyze di(cyclobutyl)-octylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
cyclohexyl(diheptyl)phosphane
CID 118892787
2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
CID 155183831
dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413
cyclohexyl-ethyl-octylphosphane
CID 90109221
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
butyl-cyclopentyl-methylphosphane
CID 155308845
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
3-dicyclohexylphosphanylpropan-1-amine
CID 68903820
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605

Frequently Asked Questions

What is the IUPAC name of di(cyclobutyl)-octylphosphane?
The IUPAC name of di(cyclobutyl)-octylphosphane (CID 151646814) is di(cyclobutyl)-octylphosphane.
What is the SMILES notation for di(cyclobutyl)-octylphosphane?
The canonical SMILES for di(cyclobutyl)-octylphosphane is CCCCCCCCP(C1CCC1)C1CCC1.
What is the InChIKey of di(cyclobutyl)-octylphosphane?
The InChIKey is QTRMHMYIOOLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31P/c1-2-3-4-5-6-7-14-17(15-10-8-11-15)16-12-9-13-16/h15-16H,2-14H2,1H3.
What are the key properties of di(cyclobutyl)-octylphosphane?
di(cyclobutyl)-octylphosphane has a molecular weight of 254.40 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)-octylphosphane is sourced from PubChem (CID 151646814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).