ditert-butyl(cyclohexyl)phosphane

C14H29P — CID 4643321

IUPACditert-butyl(cyclohexyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
InChIKeyHFFHNJKBAYQARL-UHFFFAOYSA-N
MW228.36 g/mol
LogP5.40
Rot. Bonds1

About ditert-butyl(cyclohexyl)phosphane

ditert-butyl(cyclohexyl)phosphane (PubChem CID 4643321) has the molecular formula C14H29P and a molecular weight of 228.36 g/mol. Its IUPAC name is ditert-butyl(cyclohexyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(cyclohexyl)phosphane
PubChem CID4643321
Molecular FormulaC14H29P
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Nameditert-butyl(cyclohexyl)phosphane
SMILESCC(C)(C)P(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3
InChIKeyHFFHNJKBAYQARL-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.36
LogP ≤ 55.40
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 ditert-butyl(cyclohexyl)phosphane?
The IUPAC name of ditert-butyl(cyclohexyl)phosphane (CID 4643321) is ditert-butyl(cyclohexyl)phosphane.
What is the SMILES notation for ditert-butyl(cyclohexyl)phosphane?
The canonical SMILES for ditert-butyl(cyclohexyl)phosphane is CC(C)(C)P(C1CCCCC1)C(C)(C)C.
What is the InChIKey of ditert-butyl(cyclohexyl)phosphane?
The InChIKey is HFFHNJKBAYQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3.
What are the key properties of ditert-butyl(cyclohexyl)phosphane?
ditert-butyl(cyclohexyl)phosphane has a molecular weight of 228.36 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(cyclohexyl)phosphane is sourced from PubChem (CID 4643321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).