butane;tert-butyl(chloro)phosphane

C8H20ClP — CID 19690202

IUPACbutane;tert-butyl(chloro)phosphane
SMILESCC(C)(C)PCl.CCCC
InChIInChI=1S/C4H10ClP.C4H10/c1-4(2,3)6-5;1-3-4-2/h6H,1-3H3;3-4H2,1-2H3
InChIKeyICOWYRLCOHRRSB-UHFFFAOYSA-N
MW182.67 g/mol
LogP4.42
Rot. Bonds1

About butane;tert-butyl(chloro)phosphane

butane;tert-butyl(chloro)phosphane (PubChem CID 19690202) has the molecular formula C8H20ClP and a molecular weight of 182.67 g/mol. Its IUPAC name is butane;tert-butyl(chloro)phosphane.

Molecular Properties

Compound Namebutane;tert-butyl(chloro)phosphane
PubChem CID19690202
Molecular FormulaC8H20ClP
Molecular Weight182.67 g/mol
Exact Mass182.10
IUPAC Namebutane;tert-butyl(chloro)phosphane
SMILESCC(C)(C)PCl.CCCC
InChIInChI=1S/C4H10ClP.C4H10/c1-4(2,3)6-5;1-3-4-2/h6H,1-3H3;3-4H2,1-2H3
InChIKeyICOWYRLCOHRRSB-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 54.42
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 butane;tert-butyl(chloro)phosphane?
The IUPAC name of butane;tert-butyl(chloro)phosphane (CID 19690202) is butane;tert-butyl(chloro)phosphane.
What is the SMILES notation for butane;tert-butyl(chloro)phosphane?
The canonical SMILES for butane;tert-butyl(chloro)phosphane is CC(C)(C)PCl.CCCC.
What is the InChIKey of butane;tert-butyl(chloro)phosphane?
The InChIKey is ICOWYRLCOHRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClP.C4H10/c1-4(2,3)6-5;1-3-4-2/h6H,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;tert-butyl(chloro)phosphane?
butane;tert-butyl(chloro)phosphane has a molecular weight of 182.67 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tert-butyl(chloro)phosphane is sourced from PubChem (CID 19690202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).