tritert-butyl(methylidene)-lambda5-phosphane

C13H29P — CID 12605259

IUPACtritert-butyl(methylidene)-lambda5-phosphane
SMILESC=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29P/c1-11(2,3)14(10,12(4,5)6)13(7,8)9/h10H2,1-9H3
InChIKeyXZICEKXBKTZAGD-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.83
Rot. Bonds

About tritert-butyl(methylidene)-lambda5-phosphane

tritert-butyl(methylidene)-lambda5-phosphane (PubChem CID 12605259) has the molecular formula C13H29P and a molecular weight of 216.35 g/mol. Its IUPAC name is tritert-butyl(methylidene)-lambda5-phosphane.

Molecular Properties

Compound Nametritert-butyl(methylidene)-lambda5-phosphane
PubChem CID12605259
Molecular FormulaC13H29P
Molecular Weight216.35 g/mol
Exact Mass216.20
IUPAC Nametritert-butyl(methylidene)-lambda5-phosphane
SMILESC=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29P/c1-11(2,3)14(10,12(4,5)6)13(7,8)9/h10H2,1-9H3
InChIKeyXZICEKXBKTZAGD-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.83
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 tritert-butyl(methylidene)-lambda5-phosphane?
The IUPAC name of tritert-butyl(methylidene)-lambda5-phosphane (CID 12605259) is tritert-butyl(methylidene)-lambda5-phosphane.
What is the SMILES notation for tritert-butyl(methylidene)-lambda5-phosphane?
The canonical SMILES for tritert-butyl(methylidene)-lambda5-phosphane is C=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl(methylidene)-lambda5-phosphane?
The InChIKey is XZICEKXBKTZAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29P/c1-11(2,3)14(10,12(4,5)6)13(7,8)9/h10H2,1-9H3.
What are the key properties of tritert-butyl(methylidene)-lambda5-phosphane?
tritert-butyl(methylidene)-lambda5-phosphane has a molecular weight of 216.35 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(methylidene)-lambda5-phosphane is sourced from PubChem (CID 12605259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).