butyl-tert-butyl-chlorophosphane

C8H18ClP — CID 12507378

IUPACbutyl-tert-butyl-chlorophosphane
SMILESCCCCP(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClP/c1-5-6-7-10(9)8(2,3)4/h5-7H2,1-4H3
InChIKeyFGONCILZXWBQPY-UHFFFAOYSA-N
MW180.66 g/mol
LogP4.22
Rot. Bonds3

About butyl-tert-butyl-chlorophosphane

butyl-tert-butyl-chlorophosphane (PubChem CID 12507378) has the molecular formula C8H18ClP and a molecular weight of 180.66 g/mol. Its IUPAC name is butyl-tert-butyl-chlorophosphane.

Molecular Properties

Compound Namebutyl-tert-butyl-chlorophosphane
PubChem CID12507378
Molecular FormulaC8H18ClP
Molecular Weight180.66 g/mol
Exact Mass180.08
IUPAC Namebutyl-tert-butyl-chlorophosphane
SMILESCCCCP(Cl)C(C)(C)C
InChIInChI=1S/C8H18ClP/c1-5-6-7-10(9)8(2,3)4/h5-7H2,1-4H3
InChIKeyFGONCILZXWBQPY-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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 butyl-tert-butyl-chlorophosphane?
The IUPAC name of butyl-tert-butyl-chlorophosphane (CID 12507378) is butyl-tert-butyl-chlorophosphane.
What is the SMILES notation for butyl-tert-butyl-chlorophosphane?
The canonical SMILES for butyl-tert-butyl-chlorophosphane is CCCCP(Cl)C(C)(C)C.
What is the InChIKey of butyl-tert-butyl-chlorophosphane?
The InChIKey is FGONCILZXWBQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClP/c1-5-6-7-10(9)8(2,3)4/h5-7H2,1-4H3.
What are the key properties of butyl-tert-butyl-chlorophosphane?
butyl-tert-butyl-chlorophosphane has a molecular weight of 180.66 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-tert-butyl-chlorophosphane is sourced from PubChem (CID 12507378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).