tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane

C16H36P2 — CID 177390935

IUPACtert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane
SMILESCP(CCCCCCP(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36P2/c1-15(2,3)17(7)13-11-9-10-12-14-18(8)16(4,5)6/h9-14H2,1-8H3
InChIKeyZHXNGGGCZWVLEA-UHFFFAOYSA-N
MW290.41 g/mol
LogP6.37
Rot. Bonds7

About tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane

tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane (PubChem CID 177390935) has the molecular formula C16H36P2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane.

Molecular Properties

Compound Nametert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane
PubChem CID177390935
Molecular FormulaC16H36P2
Molecular Weight290.41 g/mol
Exact Mass290.23
IUPAC Nametert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane
SMILESCP(CCCCCCP(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H36P2/c1-15(2,3)17(7)13-11-9-10-12-14-18(8)16(4,5)6/h9-14H2,1-8H3
InChIKeyZHXNGGGCZWVLEA-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 56.37
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 tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane 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

2-[tert-butyl(methyl)phosphanyl]ethanol
CID 87760818
tris(10,10-dimethylundecyl)phosphane
CID 152732477
methyl-di(tetradecyl)phosphane
CID 89485367
heptyl(dimethyl)phosphane
CID 18386855
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
iodo-methyl-pentylphosphane
CID 155088265
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
dimethyl-(5-methyl-5-silyloxyhexyl)phosphane
CID 173465118
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
CID 173080651
2-iodo-2-methylnonane
CID 12714355

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane?
The IUPAC name of tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane (CID 177390935) is tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane.
What is the SMILES notation for tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane?
The canonical SMILES for tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane is CP(CCCCCCP(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane?
The InChIKey is ZHXNGGGCZWVLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P2/c1-15(2,3)17(7)13-11-9-10-12-14-18(8)16(4,5)6/h9-14H2,1-8H3.
What are the key properties of tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane?
tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane has a molecular weight of 290.41 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[tert-butyl(methyl)phosphanyl]hexyl]-methylphosphane is sourced from PubChem (CID 177390935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).