dicyclohexyl-ethyl-dimethyl-λ5-phosphane

C16H33P — CID 59356918

IUPACdicyclohexyl-ethyl-dimethyl-λ5-phosphane
SMILESCCP(C)(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H33P/c1-4-17(2,3,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3
InChIKeyCNCBHSUMHPHQGH-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.48
Rot. Bonds3

About dicyclohexyl-ethyl-dimethyl-λ5-phosphane

dicyclohexyl-ethyl-dimethyl-λ5-phosphane (PubChem CID 59356918) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is dicyclohexyl-ethyl-dimethyl-λ5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-ethyl-dimethyl-λ5-phosphane
PubChem CID59356918
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Namedicyclohexyl-ethyl-dimethyl-λ5-phosphane
SMILESCCP(C)(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H33P/c1-4-17(2,3,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3
InChIKeyCNCBHSUMHPHQGH-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.48
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-ethyl-dimethyl-λ5-phosphane?
The IUPAC name of dicyclohexyl-ethyl-dimethyl-λ5-phosphane (CID 59356918) is dicyclohexyl-ethyl-dimethyl-λ5-phosphane.
What is the SMILES notation for dicyclohexyl-ethyl-dimethyl-λ5-phosphane?
The canonical SMILES for dicyclohexyl-ethyl-dimethyl-λ5-phosphane is CCP(C)(C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-ethyl-dimethyl-λ5-phosphane?
The InChIKey is CNCBHSUMHPHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-4-17(2,3,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-16H,4-14H2,1-3H3.
What are the key properties of dicyclohexyl-ethyl-dimethyl-λ5-phosphane?
dicyclohexyl-ethyl-dimethyl-λ5-phosphane has a molecular weight of 256.41 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-ethyl-dimethyl-λ5-phosphane is sourced from PubChem (CID 59356918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).