2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane

C21H37P — CID 58861207

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane
SMILESC1CCC(P(C2CCCCC2)C2CC3CCCCC3C2)CC1
InChIInChI=1S/C21H37P/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21/h17-21H,1-16H2
InChIKeyYZEJSUVEAPIQBF-UHFFFAOYSA-N
MW320.50 g/mol
LogP7.10
Rot. Bonds3

About 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane

2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane (PubChem CID 58861207) has the molecular formula C21H37P and a molecular weight of 320.50 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane
PubChem CID58861207
Molecular FormulaC21H37P
Molecular Weight320.50 g/mol
Exact Mass320.26
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane
SMILESC1CCC(P(C2CCCCC2)C2CC3CCCCC3C2)CC1
InChIInChI=1S/C21H37P/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21/h17-21H,1-16H2
InChIKeyYZEJSUVEAPIQBF-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)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

tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
CID 11297590
CID 11297590
silane;tricyclohexylphosphane
CID 158384701
gold(1+);tricyclohexylphosphane
CID 161082953
phosphane;tricyclohexylphosphane
CID 87084185
bis(dicyclohexyl(cyclopentyl)phosphane);iron
CID 44558250
cobalt(2+);bis(tricyclohexylphosphane);dichloride
CID 171703558
palladium;tricyclopentylphosphane
CID 87488912
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
dibromocobalt;bis(tricyclohexylphosphane)
CID 159401861

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane (CID 58861207) is 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane is C1CCC(P(C2CCCCC2)C2CC3CCCCC3C2)CC1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane?
The InChIKey is YZEJSUVEAPIQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37P/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21/h17-21H,1-16H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane?
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane has a molecular weight of 320.50 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl(dicyclohexyl)phosphane is sourced from PubChem (CID 58861207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).