butane;phosphorosooxybenzene

C10H15O2P — CID 69253491

IUPACbutane;phosphorosooxybenzene
SMILESCCCC.O=POc1ccccc1
InChIInChI=1S/C6H5O2P.C4H10/c7-9-8-6-4-2-1-3-5-6;1-3-4-2/h1-5H;3-4H2,1-2H3
InChIKeyHDENNGQFVFNHER-UHFFFAOYSA-N
MW198.20 g/mol
LogP4.08
Rot. Bonds3

About butane;phosphorosooxybenzene

butane;phosphorosooxybenzene (PubChem CID 69253491) has the molecular formula C10H15O2P and a molecular weight of 198.20 g/mol. Its IUPAC name is butane;phosphorosooxybenzene.

Molecular Properties

Compound Namebutane;phosphorosooxybenzene
PubChem CID69253491
Molecular FormulaC10H15O2P
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Namebutane;phosphorosooxybenzene
SMILESCCCC.O=POc1ccccc1
InChIInChI=1S/C6H5O2P.C4H10/c7-9-8-6-4-2-1-3-5-6;1-3-4-2/h1-5H;3-4H2,1-2H3
InChIKeyHDENNGQFVFNHER-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66709852
CID 66709852
dioctyl propanedioate;2-methylpropane;phosphorosooxybenzene
CID 91525194
alumane;1-ethyl-4-phosphorosooxybenzene
CID 175477629
butane;phenyl carbamate
CID 145076324
phosphorosoperoxybenzene
CID 154486762
2-phosphorosooxybutoxybenzene
CID 175007950
anisole;butane;2,2-dimethylpropanal
CID 142135610
propoxybenzene;sulfur dioxide
CID 174403655
ethyl-oxo-phenoxy-sulfanylidene-λ6-sulfane
CID 139915928
ethane;phenoxybenzene;propane
CID 90923491
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480

Frequently Asked Questions

What is the IUPAC name of butane;phosphorosooxybenzene?
The IUPAC name of butane;phosphorosooxybenzene (CID 69253491) is butane;phosphorosooxybenzene.
What is the SMILES notation for butane;phosphorosooxybenzene?
The canonical SMILES for butane;phosphorosooxybenzene is CCCC.O=POc1ccccc1.
What is the InChIKey of butane;phosphorosooxybenzene?
The InChIKey is HDENNGQFVFNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O2P.C4H10/c7-9-8-6-4-2-1-3-5-6;1-3-4-2/h1-5H;3-4H2,1-2H3.
What are the key properties of butane;phosphorosooxybenzene?
butane;phosphorosooxybenzene has a molecular weight of 198.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phosphorosooxybenzene is sourced from PubChem (CID 69253491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).