1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane

C18H34P2 — CID 141348196

IUPAC1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane
SMILESCC1(C)CCCP1C1(P2CCCC2(C)C)CCCCC1
InChIInChI=1S/C18H34P2/c1-16(2)10-8-14-19(16)18(12-6-5-7-13-18)20-15-9-11-17(20,3)4/h5-15H2,1-4H3
InChIKeyWACGAFNBUXYEJQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.76
Rot. Bonds2

About 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane

1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane (PubChem CID 141348196) has the molecular formula C18H34P2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane.

Molecular Properties

Compound Name1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane
PubChem CID141348196
Molecular FormulaC18H34P2
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane
SMILESCC1(C)CCCP1C1(P2CCCC2(C)C)CCCCC1
InChIInChI=1S/C18H34P2/c1-16(2)10-8-14-19(16)18(12-6-5-7-13-18)20-15-9-11-17(20,3)4/h5-15H2,1-4H3
InChIKeyWACGAFNBUXYEJQ-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.76
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-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane?
The IUPAC name of 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane (CID 141348196) is 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane.
What is the SMILES notation for 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane?
The canonical SMILES for 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane is CC1(C)CCCP1C1(P2CCCC2(C)C)CCCCC1.
What is the InChIKey of 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane?
The InChIKey is WACGAFNBUXYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34P2/c1-16(2)10-8-14-19(16)18(12-6-5-7-13-18)20-15-9-11-17(20,3)4/h5-15H2,1-4H3.
What are the key properties of 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane?
1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane has a molecular weight of 312.42 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylphospholan-1-yl)cyclohexyl]-2,2-dimethylphospholane is sourced from PubChem (CID 141348196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).