hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane

C26H47P — CID 23135843

IUPAChexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane
SMILESCCCCCCP(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
InChIInChI=1S/C26H47P/c1-8-9-10-11-12-27(23-15-19-13-21(17(23)2)25(19,4)5)24-16-20-14-22(18(24)3)26(20,6)7/h17-24H,8-16H2,1-7H3
InChIKeyICKIRZSOEDTBOA-UHFFFAOYSA-N
MW390.64 g/mol
LogP8.19
Rot. Bonds7

About hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane

hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane (PubChem CID 23135843) has the molecular formula C26H47P and a molecular weight of 390.64 g/mol. Its IUPAC name is hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane.

Molecular Properties

Compound Namehexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane
PubChem CID23135843
Molecular FormulaC26H47P
Molecular Weight390.64 g/mol
Exact Mass390.34
IUPAC Namehexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane
SMILESCCCCCCP(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C
InChIInChI=1S/C26H47P/c1-8-9-10-11-12-27(23-15-19-13-21(17(23)2)25(19,4)5)24-16-20-14-22(18(24)3)26(20,6)7/h17-24H,8-16H2,1-7H3
InChIKeyICKIRZSOEDTBOA-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 58.19
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 hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane 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

hexyl-octyl-[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
CID 134906549
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246
1-[bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]nonan-4-one
CID 10251886
di(cyclobutyl)-octylphosphane
CID 151646814
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
CID 54423756
[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
CID 124915343
dodecane;trioctylphosphane;dihydrobromide
CID 173344161

Frequently Asked Questions

What is the IUPAC name of hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane?
The IUPAC name of hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane (CID 23135843) is hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane.
What is the SMILES notation for hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane?
The canonical SMILES for hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane is CCCCCCP(C1CC2CC(C1C)C2(C)C)C1CC2CC(C1C)C2(C)C.
What is the InChIKey of hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane?
The InChIKey is ICKIRZSOEDTBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47P/c1-8-9-10-11-12-27(23-15-19-13-21(17(23)2)25(19,4)5)24-16-20-14-22(18(24)3)26(20,6)7/h17-24H,8-16H2,1-7H3.
What are the key properties of hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane?
hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane has a molecular weight of 390.64 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)phosphane is sourced from PubChem (CID 23135843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).