tert-butyl(dicyclohexyl)phosphane

C16H31P — CID 4643319

IUPACtert-butyl(dicyclohexyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyMQYZHXLHUNLBQH-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.93
Rot. Bonds2

About tert-butyl(dicyclohexyl)phosphane

tert-butyl(dicyclohexyl)phosphane (PubChem CID 4643319) has the molecular formula C16H31P and a molecular weight of 254.40 g/mol. Its IUPAC name is tert-butyl(dicyclohexyl)phosphane.

Molecular Properties

Compound Nametert-butyl(dicyclohexyl)phosphane
PubChem CID4643319
Molecular FormulaC16H31P
Molecular Weight254.40 g/mol
Exact Mass254.22
IUPAC Nametert-butyl(dicyclohexyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H31P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3
InChIKeyMQYZHXLHUNLBQH-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.93
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 tert-butyl(dicyclohexyl)phosphane?
The IUPAC name of tert-butyl(dicyclohexyl)phosphane (CID 4643319) is tert-butyl(dicyclohexyl)phosphane.
What is the SMILES notation for tert-butyl(dicyclohexyl)phosphane?
The canonical SMILES for tert-butyl(dicyclohexyl)phosphane is CC(C)(C)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tert-butyl(dicyclohexyl)phosphane?
The InChIKey is MQYZHXLHUNLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl(dicyclohexyl)phosphane?
tert-butyl(dicyclohexyl)phosphane has a molecular weight of 254.40 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dicyclohexyl)phosphane is sourced from PubChem (CID 4643319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).