1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane

C21H38P2 — CID 21052080

IUPAC1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane
SMILESC1CCC(P2CCCC2CC2CCCP2C2CCCCC2)CC1
InChIInChI=1S/C21H38P2/c1-3-9-18(10-4-1)22-15-7-13-20(22)17-21-14-8-16-23(21)19-11-5-2-6-12-19/h18-21H,1-17H2
InChIKeyNNGBNWNXXODMAD-UHFFFAOYSA-N
MW352.48 g/mol
LogP7.33
Rot. Bonds4

About 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane

1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane (PubChem CID 21052080) has the molecular formula C21H38P2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane.

Molecular Properties

Compound Name1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane
PubChem CID21052080
Molecular FormulaC21H38P2
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane
SMILESC1CCC(P2CCCC2CC2CCCP2C2CCCCC2)CC1
InChIInChI=1S/C21H38P2/c1-3-9-18(10-4-1)22-15-7-13-20(22)17-21-14-8-16-23(21)19-11-5-2-6-12-19/h18-21H,1-17H2
InChIKeyNNGBNWNXXODMAD-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane?
The IUPAC name of 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane (CID 21052080) is 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane.
What is the SMILES notation for 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane?
The canonical SMILES for 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane is C1CCC(P2CCCC2CC2CCCP2C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane?
The InChIKey is NNGBNWNXXODMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38P2/c1-3-9-18(10-4-1)22-15-7-13-20(22)17-21-14-8-16-23(21)19-11-5-2-6-12-19/h18-21H,1-17H2.
What are the key properties of 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane?
1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane has a molecular weight of 352.48 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(1-cyclohexylphospholan-2-yl)methyl]phospholane is sourced from PubChem (CID 21052080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).