butane;phosphenous acid;zinc

C4H10O2PZn- — CID 174826071

IUPACbutane;phosphenous acid;zinc
SMILESO=PO.[CH2-]CCC.[Zn]
InChIInChI=1S/C4H9.HO2P.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;(H,1,2);/q-1;;
InChIKeyVPCLWXCYWYVWDG-UHFFFAOYSA-N
MW186.49 g/mol
LogP1.80
Rot. Bonds1

About butane;phosphenous acid;zinc

butane;phosphenous acid;zinc (PubChem CID 174826071) has the molecular formula C4H10O2PZn- and a molecular weight of 186.49 g/mol. Its IUPAC name is butane;phosphenous acid;zinc.

Molecular Properties

Compound Namebutane;phosphenous acid;zinc
PubChem CID174826071
Molecular FormulaC4H10O2PZn-
Molecular Weight186.49 g/mol
Exact Mass184.97
IUPAC Namebutane;phosphenous acid;zinc
SMILESO=PO.[CH2-]CCC.[Zn]
InChIInChI=1S/C4H9.HO2P.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;(H,1,2);/q-1;;
InChIKeyVPCLWXCYWYVWDG-UHFFFAOYSA-N
XLogP1.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174595531
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CID 21406649
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CID 24940344
butane;platinum(2+)
CID 85439871
butane;nickel
CID 57419181
butane;tris(rubidium(1+))
CID 59203345
butane;lithium(1-)
CID 154172744
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CID 21057379
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CID 174599553
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CID 158014640

Frequently Asked Questions

What is the IUPAC name of butane;phosphenous acid;zinc?
The IUPAC name of butane;phosphenous acid;zinc (CID 174826071) is butane;phosphenous acid;zinc.
What is the SMILES notation for butane;phosphenous acid;zinc?
The canonical SMILES for butane;phosphenous acid;zinc is O=PO.[CH2-]CCC.[Zn].
What is the InChIKey of butane;phosphenous acid;zinc?
The InChIKey is VPCLWXCYWYVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.HO2P.Zn/c1-3-4-2;1-3-2;/h1,3-4H2,2H3;(H,1,2);/q-1;;.
What are the key properties of butane;phosphenous acid;zinc?
butane;phosphenous acid;zinc has a molecular weight of 186.49 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phosphenous acid;zinc is sourced from PubChem (CID 174826071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).