butan-2-yl-tert-butyl-chlorophosphane

C8H18ClP — CID 12625174

IUPACbutan-2-yl-tert-butyl-chlorophosphane
SMILESCCC(C)P(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClP/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3
InChIKeyDFSJIFSYEQQJRL-UHFFFAOYSA-N
MW180.66 g/mol
LogP4.22
Rot. Bonds2

About butan-2-yl-tert-butyl-chlorophosphane

butan-2-yl-tert-butyl-chlorophosphane (PubChem CID 12625174) has the molecular formula C8H18ClP and a molecular weight of 180.66 g/mol. Its IUPAC name is butan-2-yl-tert-butyl-chlorophosphane.

Molecular Properties

Compound Namebutan-2-yl-tert-butyl-chlorophosphane
PubChem CID12625174
Molecular FormulaC8H18ClP
Molecular Weight180.66 g/mol
Exact Mass180.08
IUPAC Namebutan-2-yl-tert-butyl-chlorophosphane
SMILESCCC(C)P(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClP/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3
InChIKeyDFSJIFSYEQQJRL-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 54.22
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 butan-2-yl-tert-butyl-chlorophosphane?
The IUPAC name of butan-2-yl-tert-butyl-chlorophosphane (CID 12625174) is butan-2-yl-tert-butyl-chlorophosphane.
What is the SMILES notation for butan-2-yl-tert-butyl-chlorophosphane?
The canonical SMILES for butan-2-yl-tert-butyl-chlorophosphane is CCC(C)P(Cl)C(C)(C)C.
What is the InChIKey of butan-2-yl-tert-butyl-chlorophosphane?
The InChIKey is DFSJIFSYEQQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClP/c1-6-7(2)10(9)8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of butan-2-yl-tert-butyl-chlorophosphane?
butan-2-yl-tert-butyl-chlorophosphane has a molecular weight of 180.66 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-tert-butyl-chlorophosphane is sourced from PubChem (CID 12625174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).