ditert-butyl(methyl)phosphane

C9H21P — CID 4190634

IUPACditert-butyl(methyl)phosphane
SMILESCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H21P/c1-8(2,3)10(7)9(4,5)6/h1-7H3
InChIKeyJURBTQKVGNFPRJ-UHFFFAOYSA-N
MW160.24 g/mol
LogP3.70
Rot. Bonds

About ditert-butyl(methyl)phosphane

ditert-butyl(methyl)phosphane (PubChem CID 4190634) has the molecular formula C9H21P and a molecular weight of 160.24 g/mol. Its IUPAC name is ditert-butyl(methyl)phosphane.

Molecular Properties

Compound Nameditert-butyl(methyl)phosphane
PubChem CID4190634
Molecular FormulaC9H21P
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nameditert-butyl(methyl)phosphane
SMILESCP(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H21P/c1-8(2,3)10(7)9(4,5)6/h1-7H3
InChIKeyJURBTQKVGNFPRJ-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 53.70
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(methyl)phosphane?
The IUPAC name of ditert-butyl(methyl)phosphane (CID 4190634) is ditert-butyl(methyl)phosphane.
What is the SMILES notation for ditert-butyl(methyl)phosphane?
The canonical SMILES for ditert-butyl(methyl)phosphane is CP(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(methyl)phosphane?
The InChIKey is JURBTQKVGNFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P/c1-8(2,3)10(7)9(4,5)6/h1-7H3.
What are the key properties of ditert-butyl(methyl)phosphane?
ditert-butyl(methyl)phosphane has a molecular weight of 160.24 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(methyl)phosphane is sourced from PubChem (CID 4190634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).