dicyclohexyl(methyl)phosphane

C13H25P — CID 582625

IUPACdicyclohexyl(methyl)phosphane
SMILESCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyBIVNYIJKHBGMFI-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.76
Rot. Bonds2

About dicyclohexyl(methyl)phosphane

dicyclohexyl(methyl)phosphane (PubChem CID 582625) has the molecular formula C13H25P and a molecular weight of 212.32 g/mol. Its IUPAC name is dicyclohexyl(methyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(methyl)phosphane
PubChem CID582625
Molecular FormulaC13H25P
Molecular Weight212.32 g/mol
Exact Mass212.17
IUPAC Namedicyclohexyl(methyl)phosphane
SMILESCP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H25P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKeyBIVNYIJKHBGMFI-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.76
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 dicyclohexyl(methyl)phosphane?
The IUPAC name of dicyclohexyl(methyl)phosphane (CID 582625) is dicyclohexyl(methyl)phosphane.
What is the SMILES notation for dicyclohexyl(methyl)phosphane?
The canonical SMILES for dicyclohexyl(methyl)phosphane is CP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(methyl)phosphane?
The InChIKey is BIVNYIJKHBGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25P/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3.
What are the key properties of dicyclohexyl(methyl)phosphane?
dicyclohexyl(methyl)phosphane has a molecular weight of 212.32 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(methyl)phosphane is sourced from PubChem (CID 582625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).