ditert-butylphosphane;trihydrochloride

C8H22Cl3P — CID 174810815

IUPACditert-butylphosphane;trihydrochloride
SMILESCC(C)(C)PC(C)(C)C.Cl.Cl.Cl
InChIInChI=1S/C8H19P.3ClH/c1-7(2,3)9-8(4,5)6;;;/h9H,1-6H3;3*1H
InChIKeyBDOFQSZJDIXNMQ-UHFFFAOYSA-N
MW255.60 g/mol
LogP4.53
Rot. Bonds

About ditert-butylphosphane;trihydrochloride

ditert-butylphosphane;trihydrochloride (PubChem CID 174810815) has the molecular formula C8H22Cl3P and a molecular weight of 255.60 g/mol. Its IUPAC name is ditert-butylphosphane;trihydrochloride.

Molecular Properties

Compound Nameditert-butylphosphane;trihydrochloride
PubChem CID174810815
Molecular FormulaC8H22Cl3P
Molecular Weight255.60 g/mol
Exact Mass254.05
IUPAC Nameditert-butylphosphane;trihydrochloride
SMILESCC(C)(C)PC(C)(C)C.Cl.Cl.Cl
InChIInChI=1S/C8H19P.3ClH/c1-7(2,3)9-8(4,5)6;;;/h9H,1-6H3;3*1H
InChIKeyBDOFQSZJDIXNMQ-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 136643
CID 136643
CID 139566
CID 139566
CID 15134760
CID 15134760
CID 4060964
CID 4060964
CID 12548254
CID 12548254
CID 12603453
CID 12603453
CID 12603454
CID 12603454
CID 129687295
CID 129687295
CID 139073045
CID 139073045
CID 2784124
CID 2784124
CID 15301682
CID 15301682
CID 15830230
CID 15830230

Frequently Asked Questions

What is the IUPAC name of ditert-butylphosphane;trihydrochloride?
The IUPAC name of ditert-butylphosphane;trihydrochloride (CID 174810815) is ditert-butylphosphane;trihydrochloride.
What is the SMILES notation for ditert-butylphosphane;trihydrochloride?
The canonical SMILES for ditert-butylphosphane;trihydrochloride is CC(C)(C)PC(C)(C)C.Cl.Cl.Cl.
What is the InChIKey of ditert-butylphosphane;trihydrochloride?
The InChIKey is BDOFQSZJDIXNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19P.3ClH/c1-7(2,3)9-8(4,5)6;;;/h9H,1-6H3;3*1H.
What are the key properties of ditert-butylphosphane;trihydrochloride?
ditert-butylphosphane;trihydrochloride has a molecular weight of 255.60 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylphosphane;trihydrochloride is sourced from PubChem (CID 174810815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).