ditert-butyl-chloro-methylidene-lambda5-phosphane

C9H20ClP — CID 2784124

IUPACditert-butyl-chloro-methylidene-lambda5-phosphane
SMILESC=P(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H20ClP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3
InChIKeyBKDKKZGJLKCVDV-UHFFFAOYSA-N
MW194.69 g/mol
LogP4.19
Rot. Bonds

About ditert-butyl-chloro-methylidene-lambda5-phosphane

ditert-butyl-chloro-methylidene-lambda5-phosphane (PubChem CID 2784124) has the molecular formula C9H20ClP and a molecular weight of 194.69 g/mol. Its IUPAC name is ditert-butyl-chloro-methylidene-lambda5-phosphane.

Molecular Properties

Compound Nameditert-butyl-chloro-methylidene-lambda5-phosphane
PubChem CID2784124
Molecular FormulaC9H20ClP
Molecular Weight194.69 g/mol
Exact Mass194.10
IUPAC Nameditert-butyl-chloro-methylidene-lambda5-phosphane
SMILESC=P(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C9H20ClP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3
InChIKeyBKDKKZGJLKCVDV-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 54.19
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-chloro-methylidene-lambda5-phosphane?
The IUPAC name of ditert-butyl-chloro-methylidene-lambda5-phosphane (CID 2784124) is ditert-butyl-chloro-methylidene-lambda5-phosphane.
What is the SMILES notation for ditert-butyl-chloro-methylidene-lambda5-phosphane?
The canonical SMILES for ditert-butyl-chloro-methylidene-lambda5-phosphane is C=P(Cl)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-chloro-methylidene-lambda5-phosphane?
The InChIKey is BKDKKZGJLKCVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClP/c1-8(2,3)11(7,10)9(4,5)6/h7H2,1-6H3.
What are the key properties of ditert-butyl-chloro-methylidene-lambda5-phosphane?
ditert-butyl-chloro-methylidene-lambda5-phosphane has a molecular weight of 194.69 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-chloro-methylidene-lambda5-phosphane is sourced from PubChem (CID 2784124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).