chloroform;tributylphosphane

C13H28Cl3P — CID 87403775

IUPACchloroform;tributylphosphane
SMILESCCCCP(CCCC)CCCC.ClC(Cl)Cl
InChIInChI=1S/C12H27P.CHCl3/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;1H
InChIKeyREUKIDGHTMSUJF-UHFFFAOYSA-N
MW321.70 g/mol
LogP6.86
Rot. Bonds9

About chloroform;tributylphosphane

chloroform;tributylphosphane (PubChem CID 87403775) has the molecular formula C13H28Cl3P and a molecular weight of 321.70 g/mol. Its IUPAC name is chloroform;tributylphosphane.

Molecular Properties

Compound Namechloroform;tributylphosphane
PubChem CID87403775
Molecular FormulaC13H28Cl3P
Molecular Weight321.70 g/mol
Exact Mass320.10
IUPAC Namechloroform;tributylphosphane
SMILESCCCCP(CCCC)CCCC.ClC(Cl)Cl
InChIInChI=1S/C12H27P.CHCl3/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;1H
InChIKeyREUKIDGHTMSUJF-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.70
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 90109453
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dichloroplatinum;phosphane;platinum;tributylphosphane
CID 158308584
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CID 118319275
dibutyl(decyl)phosphane
CID 171559269

Frequently Asked Questions

What is the IUPAC name of chloroform;tributylphosphane?
The IUPAC name of chloroform;tributylphosphane (CID 87403775) is chloroform;tributylphosphane.
What is the SMILES notation for chloroform;tributylphosphane?
The canonical SMILES for chloroform;tributylphosphane is CCCCP(CCCC)CCCC.ClC(Cl)Cl.
What is the InChIKey of chloroform;tributylphosphane?
The InChIKey is REUKIDGHTMSUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.CHCl3/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3)4/h4-12H2,1-3H3;1H.
What are the key properties of chloroform;tributylphosphane?
chloroform;tributylphosphane has a molecular weight of 321.70 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;tributylphosphane is sourced from PubChem (CID 87403775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).