ditert-butyl(ethyl)phosphane

C10H23P — CID 12603439

IUPACditert-butyl(ethyl)phosphane
SMILESCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23P/c1-8-11(9(2,3)4)10(5,6)7/h8H2,1-7H3
InChIKeyWHOBZBLBTZHMGY-UHFFFAOYSA-N
MW174.27 g/mol
LogP4.09
Rot. Bonds1

About ditert-butyl(ethyl)phosphane

ditert-butyl(ethyl)phosphane (PubChem CID 12603439) has the molecular formula C10H23P and a molecular weight of 174.27 g/mol. Its IUPAC name is ditert-butyl(ethyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(ethyl)phosphane
PubChem CID12603439
Molecular FormulaC10H23P
Molecular Weight174.27 g/mol
Exact Mass174.15
IUPAC Nameditert-butyl(ethyl)phosphane
SMILESCCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23P/c1-8-11(9(2,3)4)10(5,6)7/h8H2,1-7H3
InChIKeyWHOBZBLBTZHMGY-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 54.09
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(ethyl)phosphane?
The IUPAC name of ditert-butyl(ethyl)phosphane (CID 12603439) is ditert-butyl(ethyl)phosphane.
What is the SMILES notation for ditert-butyl(ethyl)phosphane?
The canonical SMILES for ditert-butyl(ethyl)phosphane is CCP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(ethyl)phosphane?
The InChIKey is WHOBZBLBTZHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23P/c1-8-11(9(2,3)4)10(5,6)7/h8H2,1-7H3.
What are the key properties of ditert-butyl(ethyl)phosphane?
ditert-butyl(ethyl)phosphane has a molecular weight of 174.27 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(ethyl)phosphane is sourced from PubChem (CID 12603439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).