dodecane;phosphane;dihydrochloride

C12H31Cl2P — CID 173449681

IUPACdodecane;phosphane;dihydrochloride
SMILESCCCCCCCCCCCC.Cl.Cl.P
InChIInChI=1S/C12H26.2ClH.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h3-12H2,1-2H3;2*1H;1H3
InChIKeyJNIJMGPNKYUOKZ-UHFFFAOYSA-N
MW277.26 g/mol
LogP5.83
Rot. Bonds9

About dodecane;phosphane;dihydrochloride

dodecane;phosphane;dihydrochloride (PubChem CID 173449681) has the molecular formula C12H31Cl2P and a molecular weight of 277.26 g/mol. Its IUPAC name is dodecane;phosphane;dihydrochloride.

Molecular Properties

Compound Namedodecane;phosphane;dihydrochloride
PubChem CID173449681
Molecular FormulaC12H31Cl2P
Molecular Weight277.26 g/mol
Exact Mass276.15
IUPAC Namedodecane;phosphane;dihydrochloride
SMILESCCCCCCCCCCCC.Cl.Cl.P
InChIInChI=1S/C12H26.2ClH.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h3-12H2,1-2H3;2*1H;1H3
InChIKeyJNIJMGPNKYUOKZ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.26
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptane;phosphane;trihydrochloride
CID 175501735
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
hexane;phosphane;dihydrochloride
CID 173449744
pentacosane;hydrochloride
CID 172714496
nonadecane;hydrochloride
CID 172821128
methane;octane;dihydrochloride
CID 174397937
azane;tritriacontane;hydrochloride
CID 174841743
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250

Frequently Asked Questions

What is the IUPAC name of dodecane;phosphane;dihydrochloride?
The IUPAC name of dodecane;phosphane;dihydrochloride (CID 173449681) is dodecane;phosphane;dihydrochloride.
What is the SMILES notation for dodecane;phosphane;dihydrochloride?
The canonical SMILES for dodecane;phosphane;dihydrochloride is CCCCCCCCCCCC.Cl.Cl.P.
What is the InChIKey of dodecane;phosphane;dihydrochloride?
The InChIKey is JNIJMGPNKYUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2ClH.H3P/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h3-12H2,1-2H3;2*1H;1H3.
What are the key properties of dodecane;phosphane;dihydrochloride?
dodecane;phosphane;dihydrochloride has a molecular weight of 277.26 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;phosphane;dihydrochloride is sourced from PubChem (CID 173449681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).