butyl-ethyl-methylphosphane;dihydrochloride

C7H19Cl2P — CID 88799903

IUPACbutyl-ethyl-methylphosphane;dihydrochloride
SMILESCCCCP(C)CC.Cl.Cl
InChIInChI=1S/C7H17P.2ClH/c1-4-6-7-8(3)5-2;;/h4-7H2,1-3H3;2*1H
InChIKeyNTXQYCQJSSVYLS-UHFFFAOYSA-N
MW205.11 g/mol
LogP3.76
Rot. Bonds4

About butyl-ethyl-methylphosphane;dihydrochloride

butyl-ethyl-methylphosphane;dihydrochloride (PubChem CID 88799903) has the molecular formula C7H19Cl2P and a molecular weight of 205.11 g/mol. Its IUPAC name is butyl-ethyl-methylphosphane;dihydrochloride.

Molecular Properties

Compound Namebutyl-ethyl-methylphosphane;dihydrochloride
PubChem CID88799903
Molecular FormulaC7H19Cl2P
Molecular Weight205.11 g/mol
Exact Mass204.06
IUPAC Namebutyl-ethyl-methylphosphane;dihydrochloride
SMILESCCCCP(C)CC.Cl.Cl
InChIInChI=1S/C7H17P.2ClH/c1-4-6-7-8(3)5-2;;/h4-7H2,1-3H3;2*1H
InChIKeyNTXQYCQJSSVYLS-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 53.76
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-ethyl-methylphosphane;dihydrochloride?
The IUPAC name of butyl-ethyl-methylphosphane;dihydrochloride (CID 88799903) is butyl-ethyl-methylphosphane;dihydrochloride.
What is the SMILES notation for butyl-ethyl-methylphosphane;dihydrochloride?
The canonical SMILES for butyl-ethyl-methylphosphane;dihydrochloride is CCCCP(C)CC.Cl.Cl.
What is the InChIKey of butyl-ethyl-methylphosphane;dihydrochloride?
The InChIKey is NTXQYCQJSSVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17P.2ClH/c1-4-6-7-8(3)5-2;;/h4-7H2,1-3H3;2*1H.
What are the key properties of butyl-ethyl-methylphosphane;dihydrochloride?
butyl-ethyl-methylphosphane;dihydrochloride has a molecular weight of 205.11 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-methylphosphane;dihydrochloride is sourced from PubChem (CID 88799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).