ditert-butyl-chloro-dihydroxy-λ5-phosphane

C8H20ClO2P — CID 53471932

IUPACditert-butyl-chloro-dihydroxy-λ5-phosphane
SMILESCC(C)(C)P(O)(O)(Cl)C(C)(C)C
InChIInChI=1S/C8H20ClO2P/c1-7(2,3)12(9,10,11)8(4,5)6/h10-11H,1-6H3
InChIKeyFZOFXXLWQAFVBJ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.11
Rot. Bonds

About ditert-butyl-chloro-dihydroxy-λ5-phosphane

ditert-butyl-chloro-dihydroxy-λ5-phosphane (PubChem CID 53471932) has the molecular formula C8H20ClO2P and a molecular weight of 214.67 g/mol. Its IUPAC name is ditert-butyl-chloro-dihydroxy-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-chloro-dihydroxy-λ5-phosphane
PubChem CID53471932
Molecular FormulaC8H20ClO2P
Molecular Weight214.67 g/mol
Exact Mass214.09
IUPAC Nameditert-butyl-chloro-dihydroxy-λ5-phosphane
SMILESCC(C)(C)P(O)(O)(Cl)C(C)(C)C
InChIInChI=1S/C8H20ClO2P/c1-7(2,3)12(9,10,11)8(4,5)6/h10-11H,1-6H3
InChIKeyFZOFXXLWQAFVBJ-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-dihydroxy-λ5-phosphane?
The IUPAC name of ditert-butyl-chloro-dihydroxy-λ5-phosphane (CID 53471932) is ditert-butyl-chloro-dihydroxy-λ5-phosphane.
What is the SMILES notation for ditert-butyl-chloro-dihydroxy-λ5-phosphane?
The canonical SMILES for ditert-butyl-chloro-dihydroxy-λ5-phosphane is CC(C)(C)P(O)(O)(Cl)C(C)(C)C.
What is the InChIKey of ditert-butyl-chloro-dihydroxy-λ5-phosphane?
The InChIKey is FZOFXXLWQAFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClO2P/c1-7(2,3)12(9,10,11)8(4,5)6/h10-11H,1-6H3.
What are the key properties of ditert-butyl-chloro-dihydroxy-λ5-phosphane?
ditert-butyl-chloro-dihydroxy-λ5-phosphane has a molecular weight of 214.67 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-chloro-dihydroxy-λ5-phosphane is sourced from PubChem (CID 53471932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).