1,2-ditert-butyl-2-(phospholan-2-yl)phospholane

C16H32P2 — CID 91331862

IUPAC1,2-ditert-butyl-2-(phospholan-2-yl)phospholane
SMILESCC(C)(C)P1CCCC1(C1CCCP1)C(C)(C)C
InChIInChI=1S/C16H32P2/c1-14(2,3)16(13-9-7-11-17-13)10-8-12-18(16)15(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyHOHFSANXCOYDAM-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.69
Rot. Bonds1

About 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane

1,2-ditert-butyl-2-(phospholan-2-yl)phospholane (PubChem CID 91331862) has the molecular formula C16H32P2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane.

Molecular Properties

Compound Name1,2-ditert-butyl-2-(phospholan-2-yl)phospholane
PubChem CID91331862
Molecular FormulaC16H32P2
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name1,2-ditert-butyl-2-(phospholan-2-yl)phospholane
SMILESCC(C)(C)P1CCCC1(C1CCCP1)C(C)(C)C
InChIInChI=1S/C16H32P2/c1-14(2,3)16(13-9-7-11-17-13)10-8-12-18(16)15(4,5)6/h13,17H,7-12H2,1-6H3
InChIKeyHOHFSANXCOYDAM-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane?
The IUPAC name of 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane (CID 91331862) is 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane.
What is the SMILES notation for 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane?
The canonical SMILES for 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane is CC(C)(C)P1CCCC1(C1CCCP1)C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane?
The InChIKey is HOHFSANXCOYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32P2/c1-14(2,3)16(13-9-7-11-17-13)10-8-12-18(16)15(4,5)6/h13,17H,7-12H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane?
1,2-ditert-butyl-2-(phospholan-2-yl)phospholane has a molecular weight of 286.38 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-2-(phospholan-2-yl)phospholane is sourced from PubChem (CID 91331862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).