hexane;phosphenous acid

C6H15O2P — CID 21406649

IUPAChexane;phosphenous acid
SMILESCCCCCC.O=PO
InChIInChI=1S/C6H14.HO2P/c1-3-5-6-4-2;1-3-2/h3-6H2,1-2H3;(H,1,2)
InChIKeyOFTDAGPEONLTOR-UHFFFAOYSA-N
MW150.16 g/mol
LogP2.77
Rot. Bonds3

About hexane;phosphenous acid

hexane;phosphenous acid (PubChem CID 21406649) has the molecular formula C6H15O2P and a molecular weight of 150.16 g/mol. Its IUPAC name is hexane;phosphenous acid.

Molecular Properties

Compound Namehexane;phosphenous acid
PubChem CID21406649
Molecular FormulaC6H15O2P
Molecular Weight150.16 g/mol
Exact Mass150.08
IUPAC Namehexane;phosphenous acid
SMILESCCCCCC.O=PO
InChIInChI=1S/C6H14.HO2P/c1-3-5-6-4-2;1-3-2/h3-6H2,1-2H3;(H,1,2)
InChIKeyOFTDAGPEONLTOR-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
azane;butane;phosphenous acid
CID 173067034
phosphenous acid;propane
CID 19090860
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
O-pentyl carbamothioate;phosphenous acid
CID 174969907
carbonic acid;bis(hexane)
CID 173367789
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755

Frequently Asked Questions

What is the IUPAC name of hexane;phosphenous acid?
The IUPAC name of hexane;phosphenous acid (CID 21406649) is hexane;phosphenous acid.
What is the SMILES notation for hexane;phosphenous acid?
The canonical SMILES for hexane;phosphenous acid is CCCCCC.O=PO.
What is the InChIKey of hexane;phosphenous acid?
The InChIKey is OFTDAGPEONLTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.HO2P/c1-3-5-6-4-2;1-3-2/h3-6H2,1-2H3;(H,1,2).
What are the key properties of hexane;phosphenous acid?
hexane;phosphenous acid has a molecular weight of 150.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;phosphenous acid is sourced from PubChem (CID 21406649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).