benzyl(ditert-butyl)phosphane

C15H25P — CID 11170394

IUPACbenzyl(ditert-butyl)phosphane
SMILESCC(C)(C)P(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25P/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyLIDMEVMARAKSDE-UHFFFAOYSA-N
MW236.34 g/mol
LogP5.27
Rot. Bonds2

About benzyl(ditert-butyl)phosphane

benzyl(ditert-butyl)phosphane (PubChem CID 11170394) has the molecular formula C15H25P and a molecular weight of 236.34 g/mol. Its IUPAC name is benzyl(ditert-butyl)phosphane.

Molecular Properties

Compound Namebenzyl(ditert-butyl)phosphane
PubChem CID11170394
Molecular FormulaC15H25P
Molecular Weight236.34 g/mol
Exact Mass236.17
IUPAC Namebenzyl(ditert-butyl)phosphane
SMILESCC(C)(C)P(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25P/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyLIDMEVMARAKSDE-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.34
LogP ≤ 55.27
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 benzyl(ditert-butyl)phosphane?
The IUPAC name of benzyl(ditert-butyl)phosphane (CID 11170394) is benzyl(ditert-butyl)phosphane.
What is the SMILES notation for benzyl(ditert-butyl)phosphane?
The canonical SMILES for benzyl(ditert-butyl)phosphane is CC(C)(C)P(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl(ditert-butyl)phosphane?
The InChIKey is LIDMEVMARAKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25P/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3.
What are the key properties of benzyl(ditert-butyl)phosphane?
benzyl(ditert-butyl)phosphane has a molecular weight of 236.34 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(ditert-butyl)phosphane is sourced from PubChem (CID 11170394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).